CID 3056274

Acetamide, 2,2-bis(p-tolylthio)-

Structural Information

Molecular Formula
C16H17NOS2
SMILES
CC1=CC=C(C=C1)SC(C(=O)N)SC2=CC=C(C=C2)C
InChI
InChI=1S/C16H17NOS2/c1-11-3-7-13(8-4-11)19-16(15(17)18)20-14-9-5-12(2)6-10-14/h3-10,16H,1-2H3,(H2,17,18)
InChIKey
KELLHNUIOFYNJU-UHFFFAOYSA-N
Compound name
2,2-bis[(4-methylphenyl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.07516 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.08244 166.6
[M+Na]+ 326.06438 173.0
[M-H]- 302.06788 172.1
[M+NH4]+ 321.10898 181.6
[M+K]+ 342.03832 166.6
[M+H-H2O]+ 286.07242 159.1
[M+HCOO]- 348.07336 177.9
[M+CH3COO]- 362.08901 205.5
[M+Na-2H]- 324.04983 165.1
[M]+ 303.07461 167.9
[M]- 303.07571 167.9
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.