CID 774890

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

Structural Information

Molecular Formula
C18H28N2O
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)CCN2CCCCCC2)C
InChI
InChI=1S/C18H28N2O/c1-14-12-15(2)18(16(3)13-14)19-17(21)8-11-20-9-6-4-5-7-10-20/h12-13H,4-11H2,1-3H3,(H,19,21)
InChIKey
KJCVTRCUIMUEDD-UHFFFAOYSA-N
Compound name
3-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.22015 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.22743 171.8
[M+Na]+ 311.20937 180.9
[M+NH4]+ 306.25397 178.4
[M+K]+ 327.18331 175.3
[M-H]- 287.21287 175.2
[M+Na-2H]- 309.19482 177.0
[M]+ 288.21960 173.9
[M]- 288.22070 173.9
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.