CID 3053247

Brn 1487597

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]+ 336.23218 186.1
[M+Na]+ 358.21412 191.1
[M-H]- 334.21762 190.4
[M+NH4]+ 353.25872 201.4
[M+K]+ 374.18806 184.8
[M+H-H2O]+ 318.22216 176.6
[M+HCOO]- 380.22310 196.6
[M+CH3COO]- 394.23875 194.3
[M+Na-2H]- 356.19957 190.3
[M]+ 335.22435 180.6
[M]- 335.22545 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.