CID 3739551

Dimethyl 1-(4-fluorobenzoyl)-7-methoxypyrrolo[1,2-a]quinoline-2,3-dicarboxylate

Structural Information

Molecular Formula
C24H18FNO6
SMILES
COC1=CC2=C(C=C1)N3C(=C(C(=C3C(=O)C4=CC=C(C=C4)F)C(=O)OC)C(=O)OC)C=C2
InChI
InChI=1S/C24H18FNO6/c1-30-16-9-11-17-14(12-16)6-10-18-19(23(28)31-2)20(24(29)32-3)21(26(17)18)22(27)13-4-7-15(25)8-5-13/h4-12H,1-3H3
InChIKey
RURNHKHHUYYXAD-UHFFFAOYSA-N
Compound name
dimethyl 1-(4-fluorobenzoyl)-7-methoxypyrrolo[1,2-a]quinoline-2,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.11182 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.11910 200.9
[M+Na]+ 458.10104 210.5
[M-H]- 434.10454 208.1
[M+NH4]+ 453.14564 212.7
[M+K]+ 474.07498 207.0
[M+H-H2O]+ 418.10908 191.1
[M+HCOO]- 480.11002 219.3
[M+CH3COO]- 494.12567 231.0
[M+Na-2H]- 456.08649 200.1
[M]+ 435.11127 209.1
[M]- 435.11237 209.1
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.