CID 9554224

Brn 2000990

Structural Information

Molecular Formula
C14H20N2O2S2
SMILES
CC1=CC=CC=C1SN(C)C(=O)O/N=C/C(C)(C)SC
InChI
InChI=1S/C14H20N2O2S2/c1-11-8-6-7-9-12(11)20-16(4)13(17)18-15-10-14(2,3)19-5/h6-10H,1-5H3/b15-10+
InChIKey
ATJZZNCSYUUUKL-XNTDXEJSSA-N
Compound name
[(E)-(2-methyl-2-methylsulfanylpropylidene)amino] N-methyl-N-(2-methylphenyl)sulfanylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.09662 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10390 173.4
[M+Na]+ 335.08584 181.7
[M+NH4]+ 330.13044 180.7
[M+K]+ 351.05978 172.9
[M-H]- 311.08934 175.7
[M+Na-2H]- 333.07129 177.7
[M]+ 312.09607 176.1
[M]- 312.09717 176.1
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.