CID 45051074

Ethyl 1-((1,1'-biphenyl)-4-ylcarbonyl)-7-methoxypyrrolo(1,2-a)quinoline-3-carboxylate

Structural Information

Molecular Formula
C29H23NO4
SMILES
CCOC(=O)C1=C2C=CC3=C(N2C(=C1)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5)C=CC(=C3)OC
InChI
InChI=1S/C29H23NO4/c1-3-34-29(32)24-18-27(30-25-16-14-23(33-2)17-22(25)13-15-26(24)30)28(31)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-18H,3H2,1-2H3
InChIKey
MUIRUUNEWUHAFP-UHFFFAOYSA-N
Compound name
ethyl 7-methoxy-1-(4-phenylbenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.16272 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.17000 211.9
[M+Na]+ 472.15194 219.8
[M-H]- 448.15544 222.5
[M+NH4]+ 467.19654 222.2
[M+K]+ 488.12588 213.7
[M+H-H2O]+ 432.15998 200.6
[M+HCOO]- 494.16092 230.9
[M+CH3COO]- 508.17657 221.0
[M+Na-2H]- 470.13739 212.1
[M]+ 449.16217 217.6
[M]- 449.16327 217.6
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

No patent data available for this compound.