CID 54683549

Schembl14129903

Structural Information

Molecular Formula
C20H19FN2O4
SMILES
CC(C)CC(=O)C1=CN2C=CN(C(=O)C2=C(C1=O)O)CC3=CC=C(C=C3)F
InChI
InChI=1S/C20H19FN2O4/c1-12(2)9-16(24)15-11-22-7-8-23(10-13-3-5-14(21)6-4-13)20(27)17(22)19(26)18(15)25/h3-8,11-12,26H,9-10H2,1-2H3
InChIKey
BUXFGAJNVGXANH-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(3-methylbutanoyl)pyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

370.13287 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.14015 185.4
[M+Na]+ 393.12209 195.4
[M-H]- 369.12559 188.6
[M+NH4]+ 388.16669 195.5
[M+K]+ 409.09603 189.7
[M+H-H2O]+ 353.13013 174.9
[M+HCOO]- 415.13107 201.2
[M+CH3COO]- 429.14672 218.6
[M+Na-2H]- 391.10754 185.9
[M]+ 370.13232 188.1
[M]- 370.13342 188.1
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.