CID 4111632

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

Structural Information

Molecular Formula
C23H18ClNO3
SMILES
CCOC(=O)C1=C2C=CC3=C(N2C(=C1)C(=O)C4=CC=C(C=C4)Cl)C=CC(=C3)C
InChI
InChI=1S/C23H18ClNO3/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
NZKIESWZCKKZJQ-UHFFFAOYSA-N
Compound name
ethyl 1-(4-chlorobenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.09753 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.10481 193.3
[M+Na]+ 414.08675 204.2
[M-H]- 390.09025 201.3
[M+NH4]+ 409.13135 208.2
[M+K]+ 430.06069 197.3
[M+H-H2O]+ 374.09479 185.0
[M+HCOO]- 436.09573 209.0
[M+CH3COO]- 450.11138 204.3
[M+Na-2H]- 412.07220 194.1
[M]+ 391.09698 201.3
[M]- 391.09808 201.3
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.