CID 3034737

53880-86-7

Structural Information

Molecular Formula
C16H16N2S4
SMILES
CC1=CC=C(C=C1)NC(=S)SSC(=S)NC2=CC=C(C=C2)C
InChI
InChI=1S/C16H16N2S4/c1-11-3-7-13(8-4-11)17-15(19)21-22-16(20)18-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,17,19)(H,18,20)
InChIKey
DKIOSBCZGFSSFK-UHFFFAOYSA-N
Compound name
(4-methylphenyl)carbamothioylsulfanyl N-(4-methylphenyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

364.01962 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.026896 176.9
[M+Na]+ 387.008838 182.7
[M-H]- 363.012344 179.8
[M+NH4]+ 382.053443 188.5
[M+K]+ 402.982778 170.5
[M+H-H2O]+ 347.016880 169.2
[M+HCOO]- 409.017821 177.1
[M+CH3COO]- 423.033471 183.7
[M+Na-2H]- 384.994286 177.1
[M]+ 364.01907142 173.1
[M]- 364.02016858 173.1
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.