CID 5274894

2-pyridinecarboxamide, 3-mercapto-n-phenyl-

Structural Information

Molecular Formula
C12H10N2OS
SMILES
C1=CC=C(C=C1)NC(=O)C2=C(C=CC=N2)S
InChI
InChI=1S/C12H10N2OS/c15-12(11-10(16)7-4-8-13-11)14-9-5-2-1-3-6-9/h1-8,16H,(H,14,15)
InChIKey
JJIJNWILPUXGSY-UHFFFAOYSA-N
Compound name
N-phenyl-3-sulfanylpyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

230.05139 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.05867 148.1
[M+Na]+ 253.04061 156.2
[M-H]- 229.04411 153.9
[M+NH4]+ 248.08521 164.9
[M+K]+ 269.01455 151.8
[M+H-H2O]+ 213.04865 140.3
[M+HCOO]- 275.04959 167.2
[M+CH3COO]- 289.06524 189.7
[M+Na-2H]- 251.02606 152.9
[M]+ 230.05084 148.9
[M]- 230.05194 148.9
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.