CID 3478172

302912-86-3

Structural Information

Molecular Formula
C24H19FN2O4
SMILES
CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)OC
InChI
InChI=1S/C24H19FN2O4/c1-3-31-24(29)19-12-22(23(28)16-4-8-17(25)9-5-16)27-14-26-20(13-21(19)27)15-6-10-18(30-2)11-7-15/h4-14H,3H2,1-2H3
InChIKey
HDSDVUUXKIPILN-UHFFFAOYSA-N
Compound name
ethyl 7-(4-fluorobenzoyl)-3-(4-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 199.7
[M+Na]+ 441.12209 209.0
[M-H]- 417.12559 207.5
[M+NH4]+ 436.16669 209.5
[M+K]+ 457.09603 203.5
[M+H-H2O]+ 401.13013 187.9
[M+HCOO]- 463.13107 218.9
[M+CH3COO]- 477.14672 226.6
[M+Na-2H]- 439.10754 199.4
[M]+ 418.13232 205.1
[M]- 418.13342 205.1
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.