CID 5274589

4h-dibenzo[de,g]quinoline-2,10-diol, 5,6,6a,7-tetrahydro-1-methoxy-6-methyl-, (6ar)-

Structural Information

Molecular Formula
C18H19NO3
SMILES
CN1CCC2=CC(=C(C3=C2[C@H]1CC4=C3C=C(C=C4)O)OC)O
InChI
InChI=1S/C18H19NO3/c1-19-6-5-11-8-15(21)18(22-2)17-13-9-12(20)4-3-10(13)7-14(19)16(11)17/h3-4,8-9,14,20-21H,5-7H2,1-2H3/t14-/m1/s1
InChIKey
SEZBTEAUWHKMKW-CQSZACIVSA-N
Compound name
(6aR)-1-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.1365 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.143776 169.3
[M+Na]+ 320.125718 177.7
[M-H]- 296.129224 170.9
[M+NH4]+ 315.170323 185.7
[M+K]+ 336.099658 172.5
[M+H-H2O]+ 280.133760 161.4
[M+HCOO]- 342.134701 181.6
[M+CH3COO]- 356.150351 179.3
[M+Na-2H]- 318.111166 174.2
[M]+ 297.13595142 169.5
[M]- 297.13704858 169.5
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.