CID 3078914

N-(2,4,6-trimethylphenyl)-8-azabicyclo(3.2.1)oct-2-ene-8-acetamide monohydrochloride

Structural Information

Molecular Formula
C18H24N2O
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)CN2C3CCC2C=CC3)C
InChI
InChI=1S/C18H24N2O/c1-12-9-13(2)18(14(3)10-12)19-17(21)11-20-15-5-4-6-16(20)8-7-15/h4-5,9-10,15-16H,6-8,11H2,1-3H3,(H,19,21)
InChIKey
VPGQQLOEVKHMMP-UHFFFAOYSA-N
Compound name
2-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-N-(2,4,6-trimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.18887 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.19615 169.5
[M+Na]+ 307.17809 180.9
[M+NH4]+ 302.22269 178.1
[M+K]+ 323.15203 175.2
[M-H]- 283.18159 172.9
[M+Na-2H]- 305.16354 173.3
[M]+ 284.18832 171.9
[M]- 284.18942 171.9
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.