CID 505975

Chembl69132

Structural Information

Molecular Formula
C18H26N2O2
SMILES
C[C@@H]1CCC[C@H]2N1CC[C@@H](C2)NC(=O)C3=CC=CC(=C3O)C
InChI
InChI=1S/C18H26N2O2/c1-12-5-3-8-16(17(12)21)18(22)19-14-9-10-20-13(2)6-4-7-15(20)11-14/h3,5,8,13-15,21H,4,6-7,9-11H2,1-2H3,(H,19,22)/t13-,14+,15-/m1/s1
InChIKey
JDQXYQZAZACYBE-QLFBSQMISA-N
Compound name
N-[(2S,6R,9aR)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-2-hydroxy-3-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.19943 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.20671 173.6
[M+Na]+ 325.18865 177.0
[M-H]- 301.19215 177.0
[M+NH4]+ 320.23325 187.1
[M+K]+ 341.16259 172.6
[M+H-H2O]+ 285.19669 165.1
[M+HCOO]- 347.19763 186.8
[M+CH3COO]- 361.21328 207.0
[M+Na-2H]- 323.17410 173.7
[M]+ 302.19888 166.6
[M]- 302.19998 166.6
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.