CID 3678103

618443-87-1

Structural Information

Molecular Formula
C24H19NO6
SMILES
COC1=CC2=C(C=C1)N3C(=C(C(=C3C(=O)C4=CC=CC=C4)C(=O)OC)C(=O)OC)C=C2
InChI
InChI=1S/C24H19NO6/c1-29-16-10-12-17-15(13-16)9-11-18-19(23(27)30-2)20(24(28)31-3)21(25(17)18)22(26)14-7-5-4-6-8-14/h4-13H,1-3H3
InChIKey
OJZLMRKAGYNEEX-UHFFFAOYSA-N
Compound name
dimethyl 1-benzoyl-7-methoxypyrrolo[1,2-a]quinoline-2,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.12125 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.12853 197.7
[M+Na]+ 440.11047 206.4
[M-H]- 416.11397 205.9
[M+NH4]+ 435.15507 210.0
[M+K]+ 456.08441 203.3
[M+H-H2O]+ 400.11851 188.6
[M+HCOO]- 462.11945 217.2
[M+CH3COO]- 476.13510 227.1
[M+Na-2H]- 438.09592 198.1
[M]+ 417.12070 206.5
[M]- 417.12180 206.5
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.