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]+ 298.14378 169.3
[M+Na]+ 320.12572 177.7
[M-H]- 296.12922 170.9
[M+NH4]+ 315.17032 185.7
[M+K]+ 336.09966 172.5
[M+H-H2O]+ 280.13376 161.4
[M+HCOO]- 342.13470 181.6
[M+CH3COO]- 356.15035 179.3
[M+Na-2H]- 318.11117 174.2
[M]+ 297.13595 169.5
[M]- 297.13705 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.