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]+ 388.15434 194.0
[M+Na]+ 410.13628 203.4
[M-H]- 386.13978 202.1
[M+NH4]+ 405.18088 208.0
[M+K]+ 426.11022 198.5
[M+H-H2O]+ 370.14432 184.9
[M+HCOO]- 432.14526 214.0
[M+CH3COO]- 446.16091 223.1
[M+Na-2H]- 408.12173 195.0
[M]+ 387.14651 201.3
[M]- 387.14761 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.