CID 3151864

2-chloro-n-cyclohexylnicotinamide

Structural Information

Molecular Formula
C12H15ClN2O
SMILES
C1CCC(CC1)NC(=O)C2=C(N=CC=C2)Cl
InChI
InChI=1S/C12H15ClN2O/c13-11-10(7-4-8-14-11)12(16)15-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,15,16)
InChIKey
DWMGLWCQLGOYOC-UHFFFAOYSA-N
Compound name
2-chloro-N-cyclohexylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

238.0873 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09458 152.6
[M+Na]+ 261.07652 157.8
[M-H]- 237.08002 156.8
[M+NH4]+ 256.12112 168.9
[M+K]+ 277.05046 153.4
[M+H-H2O]+ 221.08456 145.1
[M+HCOO]- 283.08550 167.9
[M+CH3COO]- 297.10115 190.8
[M+Na-2H]- 259.06197 156.7
[M]+ 238.08675 149.0
[M]- 238.08785 149.0
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

patents stripe