CID 54705330

Schembl4321943

Structural Information

Molecular Formula
C17H13FN2O4
SMILES
CC(=O)C1=CN2C=CN(C(=O)C2=C(C1=O)O)CC3=CC=C(C=C3)F
InChI
InChI=1S/C17H13FN2O4/c1-10(21)13-9-19-6-7-20(8-11-2-4-12(18)5-3-11)17(24)14(19)16(23)15(13)22/h2-7,9,23H,8H2,1H3
InChIKey
CATSQGXNURGHOK-UHFFFAOYSA-N
Compound name
7-acetyl-2-[(4-fluorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

328.08594 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.09322 172.4
[M+Na]+ 351.07516 184.1
[M-H]- 327.07866 176.1
[M+NH4]+ 346.11976 184.3
[M+K]+ 367.04910 178.5
[M+H-H2O]+ 311.08320 162.3
[M+HCOO]- 373.08414 190.3
[M+CH3COO]- 387.09979 208.8
[M+Na-2H]- 349.06061 175.5
[M]+ 328.08539 174.7
[M]- 328.08649 174.7
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