CID 1278712

Dimethyl 3-(4-methoxybenzoyl)benzo[f]pyrrolo[1,2-a]quinoline-1,2-dicarboxylate

Structural Information

Molecular Formula
C28H21NO6
SMILES
COC1=CC=C(C=C1)C(=O)C2=C(C(=C3N2C4=C(C=C3)C5=CC=CC=C5C=C4)C(=O)OC)C(=O)OC
InChI
InChI=1S/C28H21NO6/c1-33-18-11-8-17(9-12-18)26(30)25-24(28(32)35-3)23(27(31)34-2)22-15-13-20-19-7-5-4-6-16(19)10-14-21(20)29(22)25/h4-15H,1-3H3
InChIKey
KEHWJQVTZREBOE-UHFFFAOYSA-N
Compound name
dimethyl 3-(4-methoxybenzoyl)naphtho[2,1-e]indolizine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.1369 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.14418 210.3
[M+Na]+ 490.12612 226.9
[M+NH4]+ 485.17072 216.7
[M+K]+ 506.10006 221.0
[M-H]- 466.12962 214.5
[M+Na-2H]- 488.11157 216.4
[M]+ 467.13635 214.0
[M]- 467.13745 214.0
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.