CID 16641286

5-amino-2-chloro-n-cyclohexylbenzamide

Structural Information

Molecular Formula
C13H17ClN2O
SMILES
C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)N)Cl
InChI
InChI=1S/C13H17ClN2O/c14-12-7-6-9(15)8-11(12)13(17)16-10-4-2-1-3-5-10/h6-8,10H,1-5,15H2,(H,16,17)
InChIKey
WYQDSKAXZHUYQW-UHFFFAOYSA-N
Compound name
5-amino-2-chloro-N-cyclohexylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.10294 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.110216 157.7
[M+Na]+ 275.092158 162.7
[M-H]- 251.095664 163.0
[M+NH4]+ 270.136763 174.5
[M+K]+ 291.066098 157.7
[M+H-H2O]+ 235.100200 151.1
[M+HCOO]- 297.101141 174.4
[M+CH3COO]- 311.116791 196.7
[M+Na-2H]- 273.077606 159.7
[M]+ 252.10239142 152.7
[M]- 252.10348858 152.7
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.