CID 2986876

N-(3-chloro-4-methylphenyl)-1-azepanecarboxamide

Structural Information

Molecular Formula
C14H19ClN2O
SMILES
CC1=C(C=C(C=C1)NC(=O)N2CCCCCC2)Cl
InChI
InChI=1S/C14H19ClN2O/c1-11-6-7-12(10-13(11)15)16-14(18)17-8-4-2-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3,(H,16,18)
InChIKey
BNHNCDSXZJAZTF-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methylphenyl)azepane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1186 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12588 159.1
[M+Na]+ 289.10782 163.8
[M-H]- 265.11132 164.4
[M+NH4]+ 284.15242 173.9
[M+K]+ 305.08176 164.1
[M+H-H2O]+ 249.11586 151.4
[M+HCOO]- 311.11680 173.5
[M+CH3COO]- 325.13245 198.1
[M+Na-2H]- 287.09327 161.3
[M]+ 266.11805 153.6
[M]- 266.11915 153.6
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.