CID 2409164

3-{[(4-fluorophenyl)methyl]carbamoyl}pyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C13H10FN3O3
SMILES
C1=CC(=CC=C1CNC(=O)C2=NC=CN=C2C(=O)O)F
InChI
InChI=1S/C13H10FN3O3/c14-9-3-1-8(2-4-9)7-17-12(18)10-11(13(19)20)16-6-5-15-10/h1-6H,7H2,(H,17,18)(H,19,20)
InChIKey
GDLWGDAQBFDEPC-UHFFFAOYSA-N
Compound name
3-[(4-fluorophenyl)methylcarbamoyl]pyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.07062 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.07790 159.7
[M+Na]+ 298.05984 171.1
[M+NH4]+ 293.10444 164.5
[M+K]+ 314.03378 166.4
[M-H]- 274.06334 159.9
[M+Na-2H]- 296.04529 166.2
[M]+ 275.07007 160.9
[M]- 275.07117 160.9
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

No patent data available for this compound.