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]+ 303.20671 174.5
[M+Na]+ 325.18865 180.0
[M-H]- 301.19215 177.6
[M+NH4]+ 320.23325 191.2
[M+K]+ 341.16259 175.5
[M+H-H2O]+ 285.19669 167.6
[M+HCOO]- 347.19763 189.8
[M+CH3COO]- 361.21328 208.7
[M+Na-2H]- 323.17410 173.3
[M]+ 302.19888 172.1
[M]- 302.19998 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.