CID 3846730

763129-83-5

Structural Information

Molecular Formula
C15H16N2O2S
SMILES
COC1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)N
InChI
InChI=1S/C15H16N2O2S/c1-19-13-6-4-12(5-7-13)17-15(18)10-20-14-8-2-11(16)3-9-14/h2-9H,10,16H2,1H3,(H,17,18)
InChIKey
WVIWBKXEBGLNAS-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.09326 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10054 164.7
[M+Na]+ 311.08248 171.0
[M-H]- 287.08598 170.9
[M+NH4]+ 306.12708 179.8
[M+K]+ 327.05642 166.3
[M+H-H2O]+ 271.09052 156.6
[M+HCOO]- 333.09146 184.4
[M+CH3COO]- 347.10711 203.8
[M+Na-2H]- 309.06793 166.9
[M]+ 288.09271 166.0
[M]- 288.09381 166.0
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.