CID 54684211

Schembl2207526

Structural Information

Molecular Formula
C22H19FN4O4
SMILES
C1CN(C(=O)N2C1=NC(=C(C2=O)O)C(=O)NCC3=CC=C(C=C3)F)CC4=CC=CC=C4
InChI
InChI=1S/C22H19FN4O4/c23-16-8-6-14(7-9-16)12-24-20(29)18-19(28)21(30)27-17(25-18)10-11-26(22(27)31)13-15-4-2-1-3-5-15/h1-9,28H,10-13H2,(H,24,29)
InChIKey
OMRKNNAYLVTDCQ-UHFFFAOYSA-N
Compound name
7-benzyl-N-[(4-fluorophenyl)methyl]-3-hydroxy-4,6-dioxo-8,9-dihydropyrimido[1,2-c]pyrimidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

422.13904 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.14632 200.7
[M+Na]+ 445.12826 208.2
[M-H]- 421.13176 204.8
[M+NH4]+ 440.17286 205.9
[M+K]+ 461.10220 201.2
[M+H-H2O]+ 405.13630 187.5
[M+HCOO]- 467.13724 214.7
[M+CH3COO]- 481.15289 207.8
[M+Na-2H]- 443.11371 202.4
[M]+ 422.13849 198.8
[M]- 422.13959 198.8
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.