CID 54698295

Schembl2207679

Structural Information

Molecular Formula
C15H13FN4O4
SMILES
C1C2=NC(=C(C(=O)N2CC(=O)N1)O)C(=O)NCC3=CC=C(C=C3)F
InChI
InChI=1S/C15H13FN4O4/c16-9-3-1-8(2-4-9)5-18-14(23)12-13(22)15(24)20-7-11(21)17-6-10(20)19-12/h1-4,22H,5-7H2,(H,17,21)(H,18,23)
InChIKey
QPVNLWJMHPYIRD-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-3-hydroxy-4,7-dioxo-8,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

332.09207 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.09935 174.3
[M+Na]+ 355.08129 182.7
[M-H]- 331.08479 174.4
[M+NH4]+ 350.12589 183.2
[M+K]+ 371.05523 176.7
[M+H-H2O]+ 315.08933 163.8
[M+HCOO]- 377.09027 188.3
[M+CH3COO]- 391.10592 207.6
[M+Na-2H]- 353.06674 177.6
[M]+ 332.09152 170.7
[M]- 332.09262 170.7
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

patents stripe