CID 3053247

2h-benzo(a)quinolizin-2-ol, 1,3,4,6,7,11b-hexahydro-2-(1,1-dimethylethyl)-7-phenyl-, (2s-(2-alpha,7-alpha,11b-alpha)-

Structural Information

Molecular Formula
C23H29NO
SMILES
CC(C)(C)[C@@]1(CCN2C[C@H](C3=CC=CC=C3[C@@H]2C1)C4=CC=CC=C4)O
InChI
InChI=1S/C23H29NO/c1-22(2,3)23(25)13-14-24-16-20(17-9-5-4-6-10-17)18-11-7-8-12-19(18)21(24)15-23/h4-12,20-21,25H,13-16H2,1-3H3/t20-,21-,23-/m0/s1
InChIKey
UXKLVVLXBLXQBO-FUDKSRODSA-N
Compound name
(2S,7S,11bS)-2-tert-butyl-7-phenyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

335.2249 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.232176 186.1
[M+Na]+ 358.214118 191.1
[M-H]- 334.217624 190.4
[M+NH4]+ 353.258723 201.4
[M+K]+ 374.188058 184.8
[M+H-H2O]+ 318.222160 176.6
[M+HCOO]- 380.223101 196.6
[M+CH3COO]- 394.238751 194.3
[M+Na-2H]- 356.199566 190.3
[M]+ 335.22435142 180.6
[M]- 335.22544858 180.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.