CID 2815216

Chebi:189523

Structural Information

Molecular Formula
C19H21ClN2O
SMILES
C1CC(CCC1C2=CC=C(C=C2)Cl)C(=O)NCC3=CC=CC=N3
InChI
InChI=1S/C19H21ClN2O/c20-17-10-8-15(9-11-17)14-4-6-16(7-5-14)19(23)22-13-18-3-1-2-12-21-18/h1-3,8-12,14,16H,4-7,13H2,(H,22,23)
InChIKey
ZTBLNVDCGDPZJR-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

328.13425 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.141526 177.9
[M+Na]+ 351.123468 182.3
[M-H]- 327.126974 184.7
[M+NH4]+ 346.168073 190.2
[M+K]+ 367.097408 175.7
[M+H-H2O]+ 311.131510 168.2
[M+HCOO]- 373.132451 192.1
[M+CH3COO]- 387.148101 187.0
[M+Na-2H]- 349.108916 180.0
[M]+ 328.13370142 174.7
[M]- 328.13479858 174.7
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

No patent data available for this compound.