CID 54683644

Schembl14129935

Structural Information

Molecular Formula
C18H14FN5O3
SMILES
CN1C(=NC=N1)C2=CN3C=CN(C(=O)C3=C(C2=O)O)CC4=CC=C(C=C4)F
InChI
InChI=1S/C18H14FN5O3/c1-22-17(20-10-21-22)13-9-23-6-7-24(8-11-2-4-12(19)5-3-11)18(27)14(23)16(26)15(13)25/h2-7,9-10,26H,8H2,1H3
InChIKey
MPLPIEMNORWJEH-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(2-methyl-1,2,4-triazol-3-yl)pyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

367.10806 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.11534 187.3
[M+Na]+ 390.09728 201.5
[M-H]- 366.10078 191.3
[M+NH4]+ 385.14188 195.3
[M+K]+ 406.07122 193.2
[M+H-H2O]+ 350.10532 175.1
[M+HCOO]- 412.10626 204.5
[M+CH3COO]- 426.12191 197.5
[M+Na-2H]- 388.08273 189.8
[M]+ 367.10751 191.1
[M]- 367.10861 191.1
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.