CID 54683293

Schembl14129918

Structural Information

Molecular Formula
C20H19FN2O4
SMILES
CC(C)(C)C(=O)C1=CN2C=CN(C(=O)C2=C(C1=O)O)CC3=CC(=CC=C3)F
InChI
InChI=1S/C20H19FN2O4/c1-20(2,3)18(26)14-11-22-7-8-23(10-12-5-4-6-13(21)9-12)19(27)15(22)17(25)16(14)24/h4-9,11,25H,10H2,1-3H3
InChIKey
CYELYMUMRJHTDQ-UHFFFAOYSA-N
Compound name
7-(2,2-dimethylpropanoyl)-2-[(3-fluorophenyl)methyl]-9-hydroxypyrido[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

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.14015 187.0
[M+Na]+ 393.12209 197.7
[M-H]- 369.12559 190.5
[M+NH4]+ 388.16669 197.3
[M+K]+ 409.09603 192.1
[M+H-H2O]+ 353.13013 177.0
[M+HCOO]- 415.13107 202.1
[M+CH3COO]- 429.14672 217.4
[M+Na-2H]- 391.10754 189.5
[M]+ 370.13232 189.6
[M]- 370.13342 189.6
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.