CID 5003893

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

Structural Information

Molecular Formula
C24H18ClNO6
SMILES
COC1=CC2=C(C=C1)N3C(=C(C(=C3C(=O)C4=CC=C(C=C4)Cl)C(=O)OC)C(=O)OC)C=C2
InChI
InChI=1S/C24H18ClNO6/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
PYKRXKOWWZGWQK-UHFFFAOYSA-N
Compound name
dimethyl 1-(4-chlorobenzoyl)-7-methoxypyrrolo[1,2-a]quinoline-2,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.08228 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.08956 203.2
[M+Na]+ 474.07150 213.6
[M-H]- 450.07500 211.7
[M+NH4]+ 469.11610 215.5
[M+K]+ 490.04544 209.3
[M+H-H2O]+ 434.07954 195.0
[M+HCOO]- 496.08048 218.2
[M+CH3COO]- 510.09613 231.8
[M+Na-2H]- 472.05695 202.7
[M]+ 451.08173 215.0
[M]- 451.08283 215.0
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.