CID 774892

1h-azepine-1-acetamide, hexahydro-n-(2,4,6-trimethylphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C17H26N2O
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)CN2CCCCCC2)C
InChI
InChI=1S/C17H26N2O/c1-13-10-14(2)17(15(3)11-13)18-16(20)12-19-8-6-4-5-7-9-19/h10-11H,4-9,12H2,1-3H3,(H,18,20)
InChIKey
XRCCCHHMZLPHFV-UHFFFAOYSA-N
Compound name
2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
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 167.6
[M+Na]+ 297.19372 176.8
[M+NH4]+ 292.23832 174.3
[M+K]+ 313.16766 171.4
[M-H]- 273.19722 170.9
[M+Na-2H]- 295.17917 173.0
[M]+ 274.20395 169.7
[M]- 274.20505 169.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.