CID 988022

Ethyl 1-(4-bromobenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate

Structural Information

Molecular Formula
C23H18BrNO3
SMILES
CCOC(=O)C1=C2C=CC3=C(N2C(=C1)C(=O)C4=CC=C(C=C4)Br)C=CC(=C3)C
InChI
InChI=1S/C23H18BrNO3/c1-3-28-23(27)18-13-21(22(26)15-5-8-17(24)9-6-15)25-19-10-4-14(2)12-16(19)7-11-20(18)25/h4-13H,3H2,1-2H3
InChIKey
MVENKEKGUKCNIW-UHFFFAOYSA-N
Compound name
ethyl 1-(4-bromobenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

435.047 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.05428 199.5
[M+Na]+ 458.03622 211.5
[M-H]- 434.03972 209.7
[M+NH4]+ 453.08082 215.4
[M+K]+ 474.01016 199.4
[M+H-H2O]+ 418.04426 197.4
[M+HCOO]- 480.04520 217.3
[M+CH3COO]- 494.06085 211.7
[M+Na-2H]- 456.02167 201.3
[M]+ 435.04645 223.0
[M]- 435.04755 223.0
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