CID 670684

N-(3-chloro-4-methylphenyl)-2-(2-pyridinylsulfanyl)acetamide

Structural Information

Molecular Formula
C14H13ClN2OS
SMILES
CC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=N2)Cl
InChI
InChI=1S/C14H13ClN2OS/c1-10-5-6-11(8-12(10)15)17-13(18)9-19-14-4-2-3-7-16-14/h2-8H,9H2,1H3,(H,17,18)
InChIKey
BQVAQOUSAUIQSV-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.0437 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.05098 162.6
[M+Na]+ 315.03292 171.2
[M-H]- 291.03642 168.2
[M+NH4]+ 310.07752 178.0
[M+K]+ 331.00686 164.8
[M+H-H2O]+ 275.04096 155.3
[M+HCOO]- 337.04190 176.3
[M+CH3COO]- 351.05755 200.5
[M+Na-2H]- 313.01837 165.3
[M]+ 292.04315 166.5
[M]- 292.04425 166.5
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.