CID 4989029

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

Structural Information

Molecular Formula
C26H18ClNO3
SMILES
CCOC(=O)C1=C2C=CC3=C(N2C(=C1)C(=O)C4=CC=C(C=C4)Cl)C=CC5=CC=CC=C53
InChI
InChI=1S/C26H18ClNO3/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
ALZWEPHACKJGRB-UHFFFAOYSA-N
Compound name
ethyl 3-(4-chlorobenzoyl)naphtho[2,1-e]indolizine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.09753 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.10481 203.2
[M+Na]+ 450.08675 214.7
[M-H]- 426.09025 212.1
[M+NH4]+ 445.13135 217.1
[M+K]+ 466.06069 206.7
[M+H-H2O]+ 410.09479 193.7
[M+HCOO]- 472.09573 218.6
[M+CH3COO]- 486.11138 213.6
[M+Na-2H]- 448.07220 205.9
[M]+ 427.09698 212.1
[M]- 427.09808 212.1
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.