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 169.9
[M+Na]+ 307.17809 176.2
[M-H]- 283.18159 174.4
[M+NH4]+ 302.22269 187.9
[M+K]+ 323.15203 171.6
[M+H-H2O]+ 267.18613 162.4
[M+HCOO]- 329.18707 188.1
[M+CH3COO]- 343.20272 207.2
[M+Na-2H]- 305.16354 170.7
[M]+ 284.18832 169.0
[M]- 284.18942 169.0
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.