CID 6452169

Benzylidene bis(dimethyldithiocarbamate)

Structural Information

Molecular Formula
C13H18N2S4
SMILES
CN(C)C(=S)SC(C1=CC=CC=C1)SC(=S)N(C)C
InChI
InChI=1S/C13H18N2S4/c1-14(2)12(16)18-11(19-13(17)15(3)4)10-8-6-5-7-9-10/h5-9,11H,1-4H3
InChIKey
ADHMSYVDAOEEPZ-UHFFFAOYSA-N
Compound name
[dimethylcarbamothioylsulfanyl(phenyl)methyl] N,N-dimethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

330.03528 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.04256 172.6
[M+Na]+ 353.02450 175.8
[M-H]- 329.02800 174.8
[M+NH4]+ 348.06910 186.0
[M+K]+ 368.99844 168.1
[M+H-H2O]+ 313.03254 164.2
[M+HCOO]- 375.03348 170.9
[M+CH3COO]- 389.04913 216.3
[M+Na-2H]- 351.00995 170.2
[M]+ 330.03473 171.0
[M]- 330.03583 171.0
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

patents stripe