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 158.8
[M+Na]+ 298.05984 166.3
[M-H]- 274.06334 160.6
[M+NH4]+ 293.10444 170.8
[M+K]+ 314.03378 162.3
[M+H-H2O]+ 258.06788 148.9
[M+HCOO]- 320.06882 178.4
[M+CH3COO]- 334.08447 197.6
[M+Na-2H]- 296.04529 163.2
[M]+ 275.07007 157.2
[M]- 275.07117 157.2
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

No patent data available for this compound.