CID 4086784

Ethyl 1-benzoyl-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate

Structural Information

Molecular Formula
C23H19NO3
SMILES
CCOC(=O)C1=C2C=CC3=C(N2C(=C1)C(=O)C4=CC=CC=C4)C=CC(=C3)C
InChI
InChI=1S/C23H19NO3/c1-3-27-23(26)18-14-21(22(25)16-7-5-4-6-8-16)24-19-11-9-15(2)13-17(19)10-12-20(18)24/h4-14H,3H2,1-2H3
InChIKey
AWSNEOYSHTXRGN-UHFFFAOYSA-N
Compound name
ethyl 1-benzoyl-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

357.1365 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.14378 186.4
[M+Na]+ 380.12572 195.7
[M-H]- 356.12922 194.3
[M+NH4]+ 375.17032 201.5
[M+K]+ 396.09966 190.1
[M+H-H2O]+ 340.13376 177.4
[M+HCOO]- 402.13470 206.7
[M+CH3COO]- 416.15035 197.5
[M+Na-2H]- 378.11117 188.5
[M]+ 357.13595 191.6
[M]- 357.13705 191.6
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

patents stripe