CID 676241

720667-89-0

Structural Information

Molecular Formula
C15H15ClN2O3S
SMILES
COC1=CC(=C(C=C1NC(=O)CSC2=CC=CC=N2)OC)Cl
InChI
InChI=1S/C15H15ClN2O3S/c1-20-12-8-11(13(21-2)7-10(12)16)18-14(19)9-22-15-5-3-4-6-17-15/h3-8H,9H2,1-2H3,(H,18,19)
InChIKey
QRDIAWAICKWZNN-UHFFFAOYSA-N
Compound name
N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.0492 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.05648 173.1
[M+Na]+ 361.03842 181.6
[M-H]- 337.04192 178.9
[M+NH4]+ 356.08302 186.7
[M+K]+ 377.01236 176.3
[M+H-H2O]+ 321.04646 165.4
[M+HCOO]- 383.04740 187.0
[M+CH3COO]- 397.06305 208.8
[M+Na-2H]- 359.02387 174.9
[M]+ 338.04865 180.6
[M]- 338.04975 180.6
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.