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
2
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]+ 365.02690 167.9
[M+Na]+ 387.00884 177.3
[M+NH4]+ 382.05344 176.6
[M+K]+ 402.98278 164.5
[M-H]- 363.01234 173.4
[M+Na-2H]- 384.99429 174.0
[M]+ 364.01907 172.5
[M]- 364.02017 172.5
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.