CID 54684206

Schembl2208272

Structural Information

Molecular Formula
C16H17FN4O3
SMILES
CN1CCN2C(=NC(=C(C2=O)O)C(=O)NCC3=CC=C(C=C3)F)C1
InChI
InChI=1S/C16H17FN4O3/c1-20-6-7-21-12(9-20)19-13(14(22)16(21)24)15(23)18-8-10-2-4-11(17)5-3-10/h2-5,22H,6-9H2,1H3,(H,18,23)
InChIKey
OKNONGLBFYXPML-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-3-hydroxy-8-methyl-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

332.12848 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13576 177.2
[M+Na]+ 355.11770 185.6
[M-H]- 331.12120 178.4
[M+NH4]+ 350.16230 187.0
[M+K]+ 371.09164 180.0
[M+H-H2O]+ 315.12574 166.2
[M+HCOO]- 377.12668 191.9
[M+CH3COO]- 391.14233 211.0
[M+Na-2H]- 353.10315 180.2
[M]+ 332.12793 175.0
[M]- 332.12903 175.0
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