CID 587705

3-hydroxy-n-(2,4,6-trimethylphenyl)-8-azabicyclo(3.2.1)octane-8-acetamide monohydrochloride

Structural Information

Molecular Formula
C18H26N2O2
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)CN2C3CCC2CC(C3)O)C
InChI
InChI=1S/C18H26N2O2/c1-11-6-12(2)18(13(3)7-11)19-17(22)10-20-14-4-5-15(20)9-16(21)8-14/h6-7,14-16,21H,4-5,8-10H2,1-3H3,(H,19,22)
InChIKey
QFEOPBIWCHEIML-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(2,4,6-trimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.19943 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.206706 174.5
[M+Na]+ 325.188648 180.0
[M-H]- 301.192154 177.6
[M+NH4]+ 320.233253 191.2
[M+K]+ 341.162588 175.5
[M+H-H2O]+ 285.196690 167.6
[M+HCOO]- 347.197631 189.8
[M+CH3COO]- 361.213281 208.7
[M+Na-2H]- 323.174096 173.3
[M]+ 302.19888142 172.1
[M]- 302.19997858 172.1
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.