CID 3032730

6-benzyl-6a-beta-noraporphine-10,11-diol hydrochloride

Structural Information

Molecular Formula
C23H21NO2
SMILES
C1CN([C@@H]2CC3=C(C4=CC=CC1=C24)C(=C(C=C3)O)O)CC5=CC=CC=C5
InChI
InChI=1S/C23H21NO2/c25-20-10-9-17-13-19-21-16(7-4-8-18(21)22(17)23(20)26)11-12-24(19)14-15-5-2-1-3-6-15/h1-10,19,25-26H,11-14H2/t19-/m1/s1
InChIKey
YRVCIQBCSTTXDH-LJQANCHMSA-N
Compound name
(6aR)-6-benzyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.15723 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.16451 183.3
[M+Na]+ 366.14645 200.1
[M+NH4]+ 361.19105 193.5
[M+K]+ 382.12039 189.9
[M-H]- 342.14995 189.2
[M+Na-2H]- 364.13190 189.8
[M]+ 343.15668 187.7
[M]- 343.15778 187.7
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.