CID 707668

N-(3-chlorophenyl)azepane-1-carboxamide

Structural Information

Molecular Formula
C13H17ClN2O
SMILES
C1CCCN(CC1)C(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H17ClN2O/c14-11-6-5-7-12(10-11)15-13(17)16-8-3-1-2-4-9-16/h5-7,10H,1-4,8-9H2,(H,15,17)
InChIKey
YUFQDZPPZGYQKQ-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)azepane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

252.10294 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11022 155.7
[M+Na]+ 275.09216 165.8
[M+NH4]+ 270.13676 163.4
[M+K]+ 291.06610 160.2
[M-H]- 251.09566 159.2
[M+Na-2H]- 273.07761 162.7
[M]+ 252.10239 158.3
[M]- 252.10349 158.3
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.