CID 54684204

Schembl2204933

Structural Information

Molecular Formula
C15H15FN4O3
SMILES
C1CN2C(=NC(=C(C2=O)O)C(=O)NCC3=CC=C(C=C3)F)CN1
InChI
InChI=1S/C15H15FN4O3/c16-10-3-1-9(2-4-10)7-18-14(22)12-13(21)15(23)20-6-5-17-8-11(20)19-12/h1-4,17,21H,5-8H2,(H,18,22)
InChIKey
MQBJMOSDEHLXFL-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

318.11282 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.12010 171.9
[M+Na]+ 341.10204 179.4
[M-H]- 317.10554 171.6
[M+NH4]+ 336.14664 181.3
[M+K]+ 357.07598 173.2
[M+H-H2O]+ 301.11008 161.3
[M+HCOO]- 363.11102 185.6
[M+CH3COO]- 377.12667 204.6
[M+Na-2H]- 339.08749 175.8
[M]+ 318.11227 167.2
[M]- 318.11337 167.2
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

No patent data available for this compound.