CID 25134246

N-[(1s)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide

Structural Information

Molecular Formula
C17H25N3O2
SMILES
CC(C)[C@@H](C(=O)NC1=CC=NC=C1)NC(=O)C2CCCCC2
InChI
InChI=1S/C17H25N3O2/c1-12(2)15(17(22)19-14-8-10-18-11-9-14)20-16(21)13-6-4-3-5-7-13/h8-13,15H,3-7H2,1-2H3,(H,20,21)(H,18,19,22)/t15-/m0/s1
InChIKey
VYLDPSVXLWTIAJ-HNNXBMFYSA-N
Compound name
N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

303.19467 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.20195 174.0
[M+Na]+ 326.18389 173.9
[M-H]- 302.18739 177.4
[M+NH4]+ 321.22849 185.7
[M+K]+ 342.15783 171.8
[M+H-H2O]+ 286.19193 164.7
[M+HCOO]- 348.19287 190.6
[M+CH3COO]- 362.20852 209.4
[M+Na-2H]- 324.16934 173.8
[M]+ 303.19412 167.7
[M]- 303.19522 167.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe