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 181.8
[M+Na]+ 366.14645 188.4
[M-H]- 342.14995 185.7
[M+NH4]+ 361.19105 195.2
[M+K]+ 382.12039 180.8
[M+H-H2O]+ 326.15449 171.6
[M+HCOO]- 388.15543 193.5
[M+CH3COO]- 402.17108 190.2
[M+Na-2H]- 364.13190 186.9
[M]+ 343.15668 178.9
[M]- 343.15778 178.9
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.