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]+ 253.11022 157.7
[M+Na]+ 275.09216 162.7
[M-H]- 251.09566 163.0
[M+NH4]+ 270.13676 174.5
[M+K]+ 291.06610 157.7
[M+H-H2O]+ 235.10020 151.1
[M+HCOO]- 297.10114 174.4
[M+CH3COO]- 311.11679 196.7
[M+Na-2H]- 273.07761 159.7
[M]+ 252.10239 152.7
[M]- 252.10349 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.