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]+ 248.175736 157.0
[M+Na]+ 270.157678 158.4
[M-H]- 246.161184 161.8
[M+NH4]+ 265.202283 170.5
[M+K]+ 286.131618 160.3
[M+H-H2O]+ 230.165720 148.5
[M+HCOO]- 292.166661 176.0
[M+CH3COO]- 306.182311 198.3
[M+Na-2H]- 268.143126 159.7
[M]+ 247.16791142 147.6
[M]- 247.16900858 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.