PubChemLite - N-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-n-cyclopropyl-4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide (C23H30F3N3O3)

Structural Information

Molecular Formula

SMILES

C[C@](C1=CC=C(C=C1)C(=O)N(C2CC2)C3CCN(CC3)CC4(CC4)C(=O)N)(C(F)(F)F)O

InChI

InChI=1S/C23H30F3N3O3/c1-21(32,23(24,25)26)16-4-2-15(3-5-16)19(30)29(17-6-7-17)18-8-12-28(13-9-18)14-22(10-11-22)20(27)31/h2-5,17-18,32H,6-14H2,1H3,(H2,27,31)/t21-/m0/s1

InChIKey

FAVXIEFZKPJZRT-NRFANRHFSA-N

Compound name

N-[1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	454.23122	189.7
[M+Na]+	476.21316	191.4
[M-H]-	452.21666	194.7
[M+NH4]+	471.25776	187.9
[M+K]+	492.18710	189.3
[M+H-H2O]+	436.22120	182.4
[M+HCOO]-	498.22214	198.2
[M+CH3COO]-	512.23779	239.0
[M+Na-2H]-	474.19861	188.3
[M]+	453.22339	186.8
[M]-	453.22449	186.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

454.23122

189.7

[M+Na]+

476.21316

191.4

[M-H]-

452.21666

194.7

[M+NH4]+

471.25776

187.9

[M+K]+

492.18710

189.3

[M+H-H2O]+

436.22120

182.4

[M+HCOO]-

498.22214

198.2

[M+CH3COO]-

512.23779

239.0

[M+Na-2H]-

474.19861

188.3

[M]+

453.22339

186.8

[M]-

453.22449

186.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-n-cyclopropyl-4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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