CID 5210209

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

Structural Information

Molecular Formula
C24H21NO4
SMILES
CCOC(=O)C1=C2C=CC3=C(N2C(=C1)C(=O)C4=CC=C(C=C4)OC)C=CC(=C3)C
InChI
InChI=1S/C24H21NO4/c1-4-29-24(27)19-14-22(23(26)16-6-9-18(28-3)10-7-16)25-20-11-5-15(2)13-17(20)8-12-21(19)25/h5-14H,4H2,1-3H3
InChIKey
UVKHAKIUGKSXPC-UHFFFAOYSA-N
Compound name
ethyl 1-(4-methoxybenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.14706 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.154336 194.0
[M+Na]+ 410.136278 203.4
[M-H]- 386.139784 202.1
[M+NH4]+ 405.180883 208.0
[M+K]+ 426.110218 198.5
[M+H-H2O]+ 370.144320 184.9
[M+HCOO]- 432.145261 214.0
[M+CH3COO]- 446.160911 223.1
[M+Na-2H]- 408.121726 195.0
[M]+ 387.14651142 201.3
[M]- 387.14760858 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.