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]+ 275.211776 164.9
[M+Na]+ 297.193718 167.7
[M-H]- 273.197224 170.5
[M+NH4]+ 292.238323 178.7
[M+K]+ 313.167658 169.2
[M+H-H2O]+ 257.201760 157.0
[M+HCOO]- 319.202701 182.6
[M+CH3COO]- 333.218351 204.8
[M+Na-2H]- 295.179166 165.4
[M]+ 274.20395142 158.9
[M]- 274.20504858 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.