CID 43468910

N-(4-aminophenyl)azepane-1-carboxamide

Structural Information

Molecular Formula
C13H19N3O
SMILES
C1CCCN(CC1)C(=O)NC2=CC=C(C=C2)N
InChI
InChI=1S/C13H19N3O/c14-11-5-7-12(8-6-11)15-13(17)16-9-3-1-2-4-10-16/h5-8H,1-4,9-10,14H2,(H,15,17)
InChIKey
ILPXREVDYHLSSN-UHFFFAOYSA-N
Compound name
N-(4-aminophenyl)azepane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.15282 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.16010 155.1
[M+Na]+ 256.14204 163.0
[M+NH4]+ 251.18664 161.8
[M+K]+ 272.11598 158.7
[M-H]- 232.14554 158.5
[M+Na-2H]- 254.12749 161.2
[M]+ 233.15227 156.9
[M]- 233.15337 156.9
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.