CID 54683468

Schembl4315350

Structural Information

Molecular Formula
C18H16FN3O4
SMILES
CCNC(=O)C1=CN2C=CN(C(=O)C2=C(C1=O)O)CC3=CC=C(C=C3)F
InChI
InChI=1S/C18H16FN3O4/c1-2-20-17(25)13-10-21-7-8-22(9-11-3-5-12(19)6-4-11)18(26)14(21)16(24)15(13)23/h3-8,10,24H,2,9H2,1H3,(H,20,25)
InChIKey
IJDPBBSXXCEVAI-UHFFFAOYSA-N
Compound name
N-ethyl-2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

357.1125 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.11978 181.5
[M+Na]+ 380.10172 191.9
[M-H]- 356.10522 184.9
[M+NH4]+ 375.14632 191.9
[M+K]+ 396.07566 186.1
[M+H-H2O]+ 340.10976 170.9
[M+HCOO]- 402.11070 200.0
[M+CH3COO]- 416.12635 216.4
[M+Na-2H]- 378.08717 184.6
[M]+ 357.11195 183.3
[M]- 357.11305 183.3
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