CID 25263223

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

Structural Information

Molecular Formula
C23H30F3N3O3
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

compound 2d structure
1
Annotation Hits

1
References

7
Patents

453.22394 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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 (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.