CID 163203563

Y5s3c7p3t2

Structural Information

Molecular Formula
C13H11ClN2OS
SMILES
[11CH3]SC1=C(C=CC(=C1)NC(=O)C2=CC=CC=N2)Cl
InChI
InChI=1S/C13H11ClN2OS/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)/i1-1
InChIKey
BWRWLAWESQPUSB-BJUDXGSMSA-N
Compound name
N-(4-chloro-3-(111C)methylsulfanylphenyl)pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.0395 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.04678 159.5
[M+Na]+ 300.02872 174.4
[M+NH4]+ 295.07332 168.6
[M+K]+ 316.00266 164.2
[M-H]- 276.03222 164.4
[M+Na-2H]- 298.01417 168.7
[M]+ 277.03895 163.9
[M]- 277.04005 163.9
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.