CID 63978998

1411571-54-4

Structural Information

Molecular Formula
C11H11FN4O
SMILES
CN1C=CN=C1CNC(=O)C2=CN=C(C=C2)F
InChI
InChI=1S/C11H11FN4O/c1-16-5-4-13-10(16)7-15-11(17)8-2-3-9(12)14-6-8/h2-6H,7H2,1H3,(H,15,17)
InChIKey
GKDQIESBSWCSAF-UHFFFAOYSA-N
Compound name
6-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.09169 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09897 149.6
[M+Na]+ 257.08091 158.5
[M-H]- 233.08441 151.7
[M+NH4]+ 252.12551 164.9
[M+K]+ 273.05485 154.9
[M+H-H2O]+ 217.08895 139.5
[M+HCOO]- 279.08989 171.3
[M+CH3COO]- 293.10554 192.3
[M+Na-2H]- 255.06636 154.0
[M]+ 234.09114 149.0
[M]- 234.09224 149.0
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.