CID 170941520

Schembl27156302

Structural Information

Molecular Formula
C23H18BrNO4
SMILES
CCOC(=O)C1=C2C(=CC3=CC=CC=C3N2C(=C1)C(=O)C4=CC=C(C=C4)OC)Br
InChI
InChI=1S/C23H18BrNO4/c1-3-29-23(27)17-13-20(22(26)14-8-10-16(28-2)11-9-14)25-19-7-5-4-6-15(19)12-18(24)21(17)25/h4-13H,3H2,1-2H3
InChIKey
XUUGHCSBVUMKDA-UHFFFAOYSA-N
Compound name
ethyl 4-bromo-1-(4-methoxybenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

451.04193 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.04921 201.9
[M+Na]+ 474.03115 213.5
[M-H]- 450.03465 212.0
[M+NH4]+ 469.07575 217.0
[M+K]+ 490.00509 202.2
[M+H-H2O]+ 434.03919 199.6
[M+HCOO]- 496.04013 219.7
[M+CH3COO]- 510.05578 227.3
[M+Na-2H]- 472.01660 203.9
[M]+ 451.04138 226.6
[M]- 451.04248 226.6
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