CID 63979362

1409131-21-0

Structural Information

Molecular Formula
C11H10FN3OS
SMILES
CC1=CSC(=N1)CNC(=O)C2=CN=C(C=C2)F
InChI
InChI=1S/C11H10FN3OS/c1-7-6-17-10(15-7)5-14-11(16)8-2-3-9(12)13-4-8/h2-4,6H,5H2,1H3,(H,14,16)
InChIKey
ASVOAEJKTPHOPY-UHFFFAOYSA-N
Compound name
6-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.05286 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.06014 151.9
[M+Na]+ 274.04208 161.5
[M-H]- 250.04558 155.7
[M+NH4]+ 269.08668 168.8
[M+K]+ 290.01602 157.2
[M+H-H2O]+ 234.05012 143.3
[M+HCOO]- 296.05106 169.9
[M+CH3COO]- 310.06671 193.1
[M+Na-2H]- 272.02753 153.3
[M]+ 251.05231 153.3
[M]- 251.05341 153.3
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

No patent data available for this compound.