PubChemLite - Cpi-1205 (C27H33F3N4O3)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C(=O)N1)CNC(=O)C2=C(N(C3=CC=CC=C32)[C@H](C)C4CCN(CC4)CC(F)(F)F)C)OC

InChI

InChI=1S/C27H33F3N4O3/c1-16-13-23(37-4)21(25(35)32-16)14-31-26(36)24-18(3)34(22-8-6-5-7-20(22)24)17(2)19-9-11-33(12-10-19)15-27(28,29)30/h5-8,13,17,19H,9-12,14-15H2,1-4H3,(H,31,36)(H,32,35)/t17-/m1/s1

InChIKey

HPODOLXTMDHLLC-QGZVFWFLSA-N

Compound name

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide

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]+	519.25778	227.7
[M+Na]+	541.23972	233.8
[M-H]-	517.24322	229.4
[M+NH4]+	536.28432	231.6
[M+K]+	557.21366	226.4
[M+H-H2O]+	501.24776	214.5
[M+HCOO]-	563.24870	235.8
[M+CH3COO]-	577.26435	247.5
[M+Na-2H]-	539.22517	222.2
[M]+	518.24995	225.0
[M]-	518.25105	225.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

519.25778

227.7

[M+Na]+

541.23972

233.8

[M-H]-

517.24322

229.4

[M+NH4]+

536.28432

231.6

[M+K]+

557.21366

226.4

[M+H-H2O]+

501.24776

214.5

[M+HCOO]-

563.24870

235.8

[M+CH3COO]-

577.26435

247.5

[M+Na-2H]-

539.22517

222.2

[M]+

518.24995

225.0

[M]-

518.25105

225.0

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

Cpi-1205

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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