CID 54683623

Schembl4323904

Structural Information

Molecular Formula
C19H18FN3O4
SMILES
CC(C)C(=O)NC1=CN2C=CN(C(=O)C2=C(C1=O)O)CC3=CC=C(C=C3)F
InChI
InChI=1S/C19H18FN3O4/c1-11(2)18(26)21-14-10-22-7-8-23(9-12-3-5-13(20)6-4-12)19(27)15(22)17(25)16(14)24/h3-8,10-11,25H,9H2,1-2H3,(H,21,26)
InChIKey
XENLYYYRMVZBAU-UHFFFAOYSA-N
Compound name
N-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

371.12814 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.13542 185.5
[M+Na]+ 394.11736 195.1
[M-H]- 370.12086 188.9
[M+NH4]+ 389.16196 195.3
[M+K]+ 410.09130 189.8
[M+H-H2O]+ 354.12540 175.0
[M+HCOO]- 416.12634 202.7
[M+CH3COO]- 430.14199 220.3
[M+Na-2H]- 392.10281 187.1
[M]+ 371.12759 187.2
[M]- 371.12869 187.2
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