CID 54698271

Schembl2206870

Structural Information

Molecular Formula
C18H19FN4O4
SMILES
CC1C2=NC(=C(C(=O)N2CCN1C(=O)C)O)C(=O)NCC3=CC=C(C=C3)F
InChI
InChI=1S/C18H19FN4O4/c1-10-16-21-14(17(26)20-9-12-3-5-13(19)6-4-12)15(25)18(27)23(16)8-7-22(10)11(2)24/h3-6,10,25H,7-9H2,1-2H3,(H,20,26)
InChIKey
SPBUURCBQUBFHW-UHFFFAOYSA-N
Compound name
8-acetyl-N-[(4-fluorophenyl)methyl]-3-hydroxy-9-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

374.13904 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.14632 187.9
[M+Na]+ 397.12826 196.1
[M-H]- 373.13176 189.3
[M+NH4]+ 392.17286 196.0
[M+K]+ 413.10220 190.9
[M+H-H2O]+ 357.13630 177.0
[M+HCOO]- 419.13724 201.3
[M+CH3COO]- 433.15289 220.2
[M+Na-2H]- 395.11371 188.2
[M]+ 374.13849 186.8
[M]- 374.13959 186.8
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.