CID 513594

4h-dibenzo[de,g]quinoline-1,9-diol, 5,6,6a,7-tetrahydro-2,10-dimethoxy-6,7-dimethyl-, (7s)-

Structural Information

Molecular Formula
C20H23NO4
SMILES
C[C@@H]1C2C3=C(C4=CC(=C(C=C14)O)OC)C(=C(C=C3CCN2C)OC)O
InChI
InChI=1S/C20H23NO4/c1-10-12-8-14(22)15(24-3)9-13(12)18-17-11(5-6-21(2)19(10)17)7-16(25-4)20(18)23/h7-10,19,22-23H,5-6H2,1-4H3/t10-,19?/m0/s1
InChIKey
SJPNIVPBALJABO-IHBJSSOOSA-N
Compound name
(7S)-2,10-dimethoxy-6,7-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.16272 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17000 182.7
[M+Na]+ 364.15194 191.6
[M-H]- 340.15544 184.6
[M+NH4]+ 359.19654 197.6
[M+K]+ 380.12588 187.0
[M+H-H2O]+ 324.15998 174.6
[M+HCOO]- 386.16092 194.2
[M+CH3COO]- 400.17657 192.2
[M+Na-2H]- 362.13739 185.2
[M]+ 341.16217 185.7
[M]- 341.16327 185.7
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.