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]+ 287.121256 165.9
[M+Na]+ 309.103198 172.9
[M-H]- 285.106704 172.3
[M+NH4]+ 304.147803 181.6
[M+K]+ 325.077138 167.4
[M+H-H2O]+ 269.111240 158.1
[M+HCOO]- 331.112181 185.1
[M+CH3COO]- 345.127831 205.8
[M+Na-2H]- 307.088646 166.7
[M]+ 286.11343142 166.6
[M]- 286.11452858 166.6
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.