CID 5017393

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

Structural Information

Molecular Formula
C27H18BrNO5
SMILES
COC(=O)C1=C2C=CC3=C(N2C(=C1C(=O)OC)C(=O)C4=CC(=CC=C4)Br)C=CC5=CC=CC=C53
InChI
InChI=1S/C27H18BrNO5/c1-33-26(31)22-21-13-11-19-18-9-4-3-6-15(18)10-12-20(19)29(21)24(23(22)27(32)34-2)25(30)16-7-5-8-17(28)14-16/h3-14H,1-2H3
InChIKey
CEQYRZCXHLVEPG-UHFFFAOYSA-N
Compound name
dimethyl 3-(3-bromobenzoyl)naphtho[2,1-e]indolizine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

515.03687 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.04415 218.3
[M+Na]+ 538.02609 229.7
[M-H]- 514.02959 229.4
[M+NH4]+ 533.07069 231.2
[M+K]+ 554.00003 219.2
[M+H-H2O]+ 498.03413 215.2
[M+HCOO]- 560.03507 234.5
[M+CH3COO]- 574.05072 229.0
[M+Na-2H]- 536.01154 219.9
[M]+ 515.03632 244.0
[M]- 515.03742 244.0
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.