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 172.6
[M+Na]+ 335.08584 177.9
[M-H]- 311.08934 177.9
[M+NH4]+ 330.13044 188.5
[M+K]+ 351.05978 174.7
[M+H-H2O]+ 295.09388 164.6
[M+HCOO]- 357.09482 186.1
[M+CH3COO]- 371.11047 212.7
[M+Na-2H]- 333.07129 173.0
[M]+ 312.09607 178.8
[M]- 312.09717 178.8
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.