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 164.9
[M+Na]+ 297.19372 167.7
[M-H]- 273.19722 170.5
[M+NH4]+ 292.23832 178.7
[M+K]+ 313.16766 169.2
[M+H-H2O]+ 257.20176 157.0
[M+HCOO]- 319.20270 182.6
[M+CH3COO]- 333.21835 204.8
[M+Na-2H]- 295.17917 165.4
[M]+ 274.20395 158.9
[M]- 274.20505 158.9
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.