CID 3072837

1h-pyrrolo(2,3-f)quinoline-2,7,9-tricarboxylic acid, 4,5-dihydro-4,5-dioxo-, tri-2-propenyl ester

Structural Information

Molecular Formula
C23H18N2O8
SMILES
C=CCOC(=O)C1=CC(=NC2=C1C3=C(C=C(N3)C(=O)OCC=C)C(=O)C2=O)C(=O)OCC=C
InChI
InChI=1S/C23H18N2O8/c1-4-7-31-21(28)12-10-14(22(29)32-8-5-2)25-18-16(12)17-13(19(26)20(18)27)11-15(24-17)23(30)33-9-6-3/h4-6,10-11,24H,1-3,7-9H2
InChIKey
MXMHCKQBHHKBSK-UHFFFAOYSA-N
Compound name
tris(prop-2-enyl) 4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.10632 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.113596 200.5
[M+Na]+ 473.095538 207.8
[M-H]- 449.099044 201.9
[M+NH4]+ 468.140143 209.4
[M+K]+ 489.069478 203.3
[M+H-H2O]+ 433.103580 192.8
[M+HCOO]- 495.104521 214.6
[M+CH3COO]- 509.120171 231.1
[M+Na-2H]- 471.080986 197.6
[M]+ 450.10577142 207.3
[M]- 450.10686858 207.3
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.