CID 67079956

Schembl1569040

Structural Information

Molecular Formula
C16H15ClN2O2S
SMILES
CSC(C1=C(C(=CC(=C1)Cl)C(=O)C2=CC=CC=C2)N)C(=O)N
InChI
InChI=1S/C16H15ClN2O2S/c1-22-15(16(19)21)12-8-10(17)7-11(13(12)18)14(20)9-5-3-2-4-6-9/h2-8,15H,18H2,1H3,(H2,19,21)
InChIKey
DUFFXPLJIMJGDY-UHFFFAOYSA-N
Compound name
2-(2-amino-3-benzoyl-5-chlorophenyl)-2-methylsulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

334.0543 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.06158 174.9
[M+Na]+ 357.04352 181.8
[M-H]- 333.04702 180.8
[M+NH4]+ 352.08812 188.7
[M+K]+ 373.01746 175.6
[M+H-H2O]+ 317.05156 168.3
[M+HCOO]- 379.05250 187.3
[M+CH3COO]- 393.06815 212.8
[M+Na-2H]- 355.02897 172.4
[M]+ 334.05375 176.6
[M]- 334.05485 176.6
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.