CID 4339670

763130-03-6

Structural Information

Molecular Formula
C16H18N2OS
SMILES
CC1=C(C=C(C=C1)NC(=O)CSC2=CC=C(C=C2)N)C
InChI
InChI=1S/C16H18N2OS/c1-11-3-6-14(9-12(11)2)18-16(19)10-20-15-7-4-13(17)5-8-15/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKey
MQNXANSUZWDCDR-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)sulfanyl-N-(3,4-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.11398 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12126 166.4
[M+Na]+ 309.10320 178.8
[M+NH4]+ 304.14780 174.9
[M+K]+ 325.07714 169.5
[M-H]- 285.10670 172.1
[M+Na-2H]- 307.08865 174.3
[M]+ 286.11343 170.3
[M]- 286.11453 170.3
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.