CID 57524

4h-dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, dibenzoate (ester)

Structural Information

Molecular Formula
C31H25NO4
SMILES
CN1CCC2=C3C1CC4=C(C3=CC=C2)C(=C(C=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6
InChI
InChI=1S/C31H25NO4/c1-32-18-17-20-13-8-14-24-27(20)25(32)19-23-15-16-26(35-30(33)21-9-4-2-5-10-21)29(28(23)24)36-31(34)22-11-6-3-7-12-22/h2-16,25H,17-19H2,1H3
InChIKey
VBPQTDKFLRFHSL-UHFFFAOYSA-N
Compound name
(11-benzoyloxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

475.17834 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.18562 216.2
[M+Na]+ 498.16756 219.9
[M-H]- 474.17106 224.4
[M+NH4]+ 493.21216 223.7
[M+K]+ 514.14150 213.9
[M+H-H2O]+ 458.17560 202.2
[M+HCOO]- 520.17654 227.2
[M+CH3COO]- 534.19219 222.1
[M+Na-2H]- 496.15301 217.7
[M]+ 475.17779 215.8
[M]- 475.17889 215.8
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

patents stripe