CID 16779639

N-(3-aminophenyl)-2-(azepan-1-yl)acetamide

Structural Information

Molecular Formula
C14H21N3O
SMILES
C1CCCN(CC1)CC(=O)NC2=CC=CC(=C2)N
InChI
InChI=1S/C14H21N3O/c15-12-6-5-7-13(10-12)16-14(18)11-17-8-3-1-2-4-9-17/h5-7,10H,1-4,8-9,11,15H2,(H,16,18)
InChIKey
ICJJXBMTHUXEEP-UHFFFAOYSA-N
Compound name
N-(3-aminophenyl)-2-(azepan-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.16846 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.17574 157.0
[M+Na]+ 270.15768 158.4
[M-H]- 246.16118 161.8
[M+NH4]+ 265.20228 170.5
[M+K]+ 286.13162 160.3
[M+H-H2O]+ 230.16572 148.5
[M+HCOO]- 292.16666 176.0
[M+CH3COO]- 306.18231 198.3
[M+Na-2H]- 268.14313 159.7
[M]+ 247.16791 147.6
[M]- 247.16901 147.6
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.