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]+ 285.196146 169.9
[M+Na]+ 307.178088 176.2
[M-H]- 283.181594 174.4
[M+NH4]+ 302.222693 187.9
[M+K]+ 323.152028 171.6
[M+H-H2O]+ 267.186130 162.4
[M+HCOO]- 329.187071 188.1
[M+CH3COO]- 343.202721 207.2
[M+Na-2H]- 305.163536 170.7
[M]+ 284.18832142 169.0
[M]- 284.18941858 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.