CID 3517500

Ethyl 3-(4-bromobenzoyl)benzo[f]pyrrolo[1,2-a]quinoline-1-carboxylate

Structural Information

Molecular Formula
C26H18BrNO3
SMILES
CCOC(=O)C1=C2C=CC3=C(N2C(=C1)C(=O)C4=CC=C(C=C4)Br)C=CC5=CC=CC=C53
InChI
InChI=1S/C26H18BrNO3/c1-2-31-26(30)21-15-24(25(29)17-7-10-18(27)11-8-17)28-22-13-9-16-5-3-4-6-19(16)20(22)12-14-23(21)28/h3-15H,2H2,1H3
InChIKey
NQIFDOAVKSHXGO-UHFFFAOYSA-N
Compound name
ethyl 3-(4-bromobenzoyl)naphtho[2,1-e]indolizine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.047 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.05428 210.7
[M+Na]+ 494.03622 222.7
[M-H]- 470.03972 221.6
[M+NH4]+ 489.08082 225.5
[M+K]+ 510.01016 210.5
[M+H-H2O]+ 454.04426 207.8
[M+HCOO]- 516.04520 228.0
[M+CH3COO]- 530.06085 222.0
[M+Na-2H]- 492.02167 213.9
[M]+ 471.04645 234.5
[M]- 471.04755 234.5
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.