CID 3038019

10197-24-7

Structural Information

Molecular Formula
C11H14N2S2
SMILES
CC(C)NC(=S)C(=S)NC1=CC=CC=C1
InChI
InChI=1S/C11H14N2S2/c1-8(2)12-10(14)11(15)13-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,14)(H,13,15)
InChIKey
VFLUBTRZDABTOE-UHFFFAOYSA-N
Compound name
N-phenyl-N'-propan-2-ylethanedithioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.05984 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.06712 151.3
[M+Na]+ 261.04906 159.8
[M+NH4]+ 256.09366 159.7
[M+K]+ 277.02300 150.8
[M-H]- 237.05256 154.2
[M+Na-2H]- 259.03451 156.1
[M]+ 238.05929 154.0
[M]- 238.06039 154.0
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.