CID 54705357

Schembl4330842

Structural Information

Molecular Formula
C19H19FN2O4
SMILES
CC(C)C(=O)C1=CN2CCN(C(=O)C2=C(C1=O)O)CC3=CC=C(C=C3)F
InChI
InChI=1S/C19H19FN2O4/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/h3-6,10-11,25H,7-9H2,1-2H3
InChIKey
CQUYUQUTTBJHFY-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(2-methylpropanoyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

358.13287 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.14015 182.3
[M+Na]+ 381.12209 190.8
[M-H]- 357.12559 184.9
[M+NH4]+ 376.16669 192.7
[M+K]+ 397.09603 185.7
[M+H-H2O]+ 341.13013 172.2
[M+HCOO]- 403.13107 195.7
[M+CH3COO]- 417.14672 216.3
[M+Na-2H]- 379.10754 181.5
[M]+ 358.13232 181.9
[M]- 358.13342 181.9
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