CID 5274895

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

Structural Information

Molecular Formula
C13H12N2OS
SMILES
CC1=CC=C(C=C1)NC(=O)C2=C(C=CC=N2)S
InChI
InChI=1S/C13H12N2OS/c1-9-4-6-10(7-5-9)15-13(16)12-11(17)3-2-8-14-12/h2-8,17H,1H3,(H,15,16)
InChIKey
XAXJIQLERXSMEG-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)-3-sulfanylpyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

244.06703 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.07431 152.6
[M+Na]+ 267.05625 161.0
[M-H]- 243.05975 158.5
[M+NH4]+ 262.10085 169.1
[M+K]+ 283.03019 156.4
[M+H-H2O]+ 227.06429 144.8
[M+HCOO]- 289.06523 171.3
[M+CH3COO]- 303.08088 193.9
[M+Na-2H]- 265.04170 156.2
[M]+ 244.06648 154.1
[M]- 244.06758 154.1
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.