CID 54705356

Schembl14129934

Structural Information

Molecular Formula
C19H17FN2O4
SMILES
CC(C)C(=O)C1=CN2C=CN(C(=O)C2=C(C1=O)O)CC3=CC=C(C=C3)F
InChI
InChI=1S/C19H17FN2O4/c1-11(2)16(23)14-10-21-7-8-22(9-12-3-5-13(20)6-4-12)19(26)15(21)18(25)17(14)24/h3-8,10-11,25H,9H2,1-2H3
InChIKey
CNNQJKMSQSCSFR-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(2-methylpropanoyl)pyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

356.11725 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.12453 180.8
[M+Na]+ 379.10647 191.3
[M-H]- 355.10997 184.2
[M+NH4]+ 374.15107 191.4
[M+K]+ 395.08041 185.8
[M+H-H2O]+ 339.11451 170.6
[M+HCOO]- 401.11545 197.0
[M+CH3COO]- 415.13110 215.6
[M+Na-2H]- 377.09192 181.8
[M]+ 356.11670 183.2
[M]- 356.11780 183.2
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

patents stripe