CID 54705300

Schembl4326838

Structural Information

Molecular Formula
C18H16FN3O5
SMILES
COCC(=O)NC1=CN2C=CN(C(=O)C2=C(C1=O)O)CC3=CC=C(C=C3)F
InChI
InChI=1S/C18H16FN3O5/c1-27-10-14(23)20-13-9-21-6-7-22(8-11-2-4-12(19)5-3-11)18(26)15(21)17(25)16(13)24/h2-7,9,25H,8,10H2,1H3,(H,20,23)
InChIKey
LYWMPWHEXUORFW-UHFFFAOYSA-N
Compound name
N-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-methoxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

373.1074 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.11468 183.9
[M+Na]+ 396.09662 194.0
[M-H]- 372.10012 187.3
[M+NH4]+ 391.14122 193.5
[M+K]+ 412.07056 189.0
[M+H-H2O]+ 356.10466 173.1
[M+HCOO]- 418.10560 202.6
[M+CH3COO]- 432.12125 218.7
[M+Na-2H]- 394.08207 187.2
[M]+ 373.10685 187.2
[M]- 373.10795 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