CID 3077692

N-(2,6-dimethylphenyl)-alpha-methyl-1h-hexahydroazepine-1-acetamide monohydrochloride

Structural Information

Molecular Formula
C17H26N2O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C(C)N2CCCCCC2
InChI
InChI=1S/C17H26N2O/c1-13-9-8-10-14(2)16(13)18-17(20)15(3)19-11-6-4-5-7-12-19/h8-10,15H,4-7,11-12H2,1-3H3,(H,18,20)
InChIKey
OFFCNVANOXJAME-UHFFFAOYSA-N
Compound name
2-(azepan-1-yl)-N-(2,6-dimethylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

274.2045 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.21178 167.2
[M+Na]+ 297.19372 175.7
[M+NH4]+ 292.23832 173.8
[M+K]+ 313.16766 171.0
[M-H]- 273.19722 170.3
[M+Na-2H]- 295.17917 172.5
[M]+ 274.20395 169.1
[M]- 274.20505 169.1
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

patents stripe