CID 5057006

618070-22-7

Structural Information

Molecular Formula
C24H18FNO5
SMILES
CC1=CN2C(=C(C(=C2C(=O)OC)C(=O)OC)C(=O)C3=CC=C(C=C3)F)C4=CC=CC=C14
InChI
InChI=1S/C24H18FNO5/c1-13-12-26-20(17-7-5-4-6-16(13)17)18(22(27)14-8-10-15(25)11-9-14)19(23(28)30-2)21(26)24(29)31-3/h4-12H,1-3H3
InChIKey
QGNOZKPHEZWIKA-UHFFFAOYSA-N
Compound name
dimethyl 1-(4-fluorobenzoyl)-6-methylpyrrolo[2,1-a]isoquinoline-2,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.1169 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.12418 198.4
[M+Na]+ 442.10612 208.4
[M-H]- 418.10962 205.6
[M+NH4]+ 437.15072 211.0
[M+K]+ 458.08006 204.0
[M+H-H2O]+ 402.11416 188.7
[M+HCOO]- 464.11510 216.6
[M+CH3COO]- 478.13075 228.8
[M+Na-2H]- 440.09157 197.3
[M]+ 419.11635 205.2
[M]- 419.11745 205.2
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.