CID 5274903

N-benzyl-3-sulfanyl-pyridine-2-carboxamide

Structural Information

Molecular Formula
C13H12N2OS
SMILES
C1=CC=C(C=C1)CNC(=O)C2=C(C=CC=N2)S
InChI
InChI=1S/C13H12N2OS/c16-13(12-11(17)7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8,17H,9H2,(H,15,16)
InChIKey
CHNAHCTXKSWDLC-UHFFFAOYSA-N
Compound name
N-benzyl-3-sulfanylpyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

244.06703 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.07431 152.5
[M+Na]+ 267.05625 160.1
[M-H]- 243.05975 158.1
[M+NH4]+ 262.10085 168.7
[M+K]+ 283.03019 155.5
[M+H-H2O]+ 227.06429 144.5
[M+HCOO]- 289.06523 171.3
[M+CH3COO]- 303.08088 192.7
[M+Na-2H]- 265.04170 156.9
[M]+ 244.06648 153.7
[M]- 244.06758 153.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.