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 153.0
[M+Na]+ 256.14204 155.0
[M-H]- 232.14554 158.1
[M+NH4]+ 251.18664 167.2
[M+K]+ 272.11598 157.1
[M+H-H2O]+ 216.15008 144.7
[M+HCOO]- 278.15102 172.4
[M+CH3COO]- 292.16667 194.8
[M+Na-2H]- 254.12749 156.2
[M]+ 233.15227 143.3
[M]- 233.15337 143.3
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.