CID 5274904

N-(p-tolylmethyl)-3-sulfanyl-pyridine-2-carboxamide

Structural Information

Molecular Formula
C14H14N2OS
SMILES
CC1=CC=C(C=C1)CNC(=O)C2=C(C=CC=N2)S
InChI
InChI=1S/C14H14N2OS/c1-10-4-6-11(7-5-10)9-16-14(17)13-12(18)3-2-8-15-13/h2-8,18H,9H2,1H3,(H,16,17)
InChIKey
GFKYDSDXFNBXIW-UHFFFAOYSA-N
Compound name
N-[(4-methylphenyl)methyl]-3-sulfanylpyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.08267 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.08995 157.0
[M+Na]+ 281.07189 165.0
[M-H]- 257.07539 162.7
[M+NH4]+ 276.11649 172.9
[M+K]+ 297.04583 160.1
[M+H-H2O]+ 241.07993 149.0
[M+HCOO]- 303.08087 175.4
[M+CH3COO]- 317.09652 196.8
[M+Na-2H]- 279.05734 160.1
[M]+ 258.08212 158.9
[M]- 258.08322 158.9
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.