CID 4608642

Ethyl 7-(4-fluorobenzoyl)-3-(3-methoxyphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate

Structural Information

Molecular Formula
C24H19FN2O4
SMILES
CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC=C(C=C3)F)C4=CC(=CC=C4)OC
InChI
InChI=1S/C24H19FN2O4/c1-3-31-24(29)19-12-22(23(28)15-7-9-17(25)10-8-15)27-14-26-20(13-21(19)27)16-5-4-6-18(11-16)30-2/h4-14H,3H2,1-2H3
InChIKey
JBFBJBMFRIANTD-UHFFFAOYSA-N
Compound name
ethyl 7-(4-fluorobenzoyl)-3-(3-methoxyphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.13287 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.14015 200.6
[M+Na]+ 441.12209 215.8
[M+NH4]+ 436.16669 206.1
[M+K]+ 457.09603 210.0
[M-H]- 417.12559 203.9
[M+Na-2H]- 439.10754 208.3
[M]+ 418.13232 203.7
[M]- 418.13342 203.7
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.