CID 54686304

Chembl557854

Structural Information

Molecular Formula
C19H21FN4O4
SMILES
CC(=O)N1CCN2C(=O)C(=C(N=C2C1(C)C)C(=O)NCC3=CC=C(C=C3)F)O
InChI
InChI=1S/C19H21FN4O4/c1-11(25)24-9-8-23-17(28)15(26)14(22-18(23)19(24,2)3)16(27)21-10-12-4-6-13(20)7-5-12/h4-7,26H,8-10H2,1-3H3,(H,21,27)
InChIKey
YMYKBPMPQKAKDN-UHFFFAOYSA-N
Compound name
8-acetyl-N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

388.1547 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.16198 191.1
[M+Na]+ 411.14392 199.9
[M-H]- 387.14742 192.6
[M+NH4]+ 406.18852 200.7
[M+K]+ 427.11786 195.1
[M+H-H2O]+ 371.15196 180.7
[M+HCOO]- 433.15290 204.2
[M+CH3COO]- 447.16855 222.7
[M+Na-2H]- 409.12937 192.2
[M]+ 388.15415 190.8
[M]- 388.15525 190.8
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.