CID 3684519

763129-51-7

Structural Information

Molecular Formula
C16H18N2O3S
SMILES
COC1=CC(=C(C=C1)OC)NC(=O)CSC2=CC=C(C=C2)N
InChI
InChI=1S/C16H18N2O3S/c1-20-12-5-8-15(21-2)14(9-12)18-16(19)10-22-13-6-3-11(17)4-7-13/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKey
LPUCQGVQFAOYOV-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.10382 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.11110 172.5
[M+Na]+ 341.09304 178.9
[M-H]- 317.09654 178.8
[M+NH4]+ 336.13764 186.6
[M+K]+ 357.06698 174.7
[M+H-H2O]+ 301.10108 164.1
[M+HCOO]- 363.10202 192.0
[M+CH3COO]- 377.11767 210.1
[M+Na-2H]- 339.07849 173.6
[M]+ 318.10327 176.0
[M]- 318.10437 176.0
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.