CID 54684212

Schembl2205473

Structural Information

Molecular Formula
C16H15FN4O4
SMILES
CN1CCC2=NC(=C(C(=O)N2C1=O)O)C(=O)NCC3=CC=C(C=C3)F
InChI
InChI=1S/C16H15FN4O4/c1-20-7-6-11-19-12(13(22)15(24)21(11)16(20)25)14(23)18-8-9-2-4-10(17)5-3-9/h2-5,22H,6-8H2,1H3,(H,18,23)
InChIKey
AJCYWAZGKZWSQE-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-3-hydroxy-7-methyl-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

346.10773 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.11501 179.3
[M+Na]+ 369.09695 188.6
[M-H]- 345.10045 181.0
[M+NH4]+ 364.14155 188.6
[M+K]+ 385.07089 183.3
[M+H-H2O]+ 329.10499 168.5
[M+HCOO]- 391.10593 194.4
[M+CH3COO]- 405.12158 214.0
[M+Na-2H]- 367.08240 181.7
[M]+ 346.10718 178.2
[M]- 346.10828 178.2
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

patents stripe