CID 170941527

Schembl30816073

Structural Information

Molecular Formula
C23H15Br2NO5
SMILES
COC(=O)C1=C2C(=CC3=CC=CC=C3N2C(=C1C(=O)OC)C(=O)C4=CC=C(C=C4)Br)Br
InChI
InChI=1S/C23H15Br2NO5/c1-30-22(28)17-18(23(29)31-2)20(21(27)12-7-9-14(24)10-8-12)26-16-6-4-3-5-13(16)11-15(25)19(17)26/h3-11H,1-2H3
InChIKey
GGXMXGDVTDYWNV-UHFFFAOYSA-N
Compound name
dimethyl 4-bromo-1-(4-bromobenzoyl)pyrrolo[1,2-a]quinoline-2,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

542.9317 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.93898 198.2
[M+Na]+ 565.92092 207.8
[M-H]- 541.92442 207.9
[M+NH4]+ 560.96552 210.9
[M+K]+ 581.89486 194.9
[M+H-H2O]+ 525.92896 204.7
[M+HCOO]- 587.92990 210.5
[M+CH3COO]- 601.94555 238.6
[M+Na-2H]- 563.90637 199.1
[M]+ 542.93115 237.0
[M]- 542.93225 237.0
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

patents stripe