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]+ 365.02690 176.9
[M+Na]+ 387.00884 182.7
[M-H]- 363.01234 179.8
[M+NH4]+ 382.05344 188.5
[M+K]+ 402.98278 170.5
[M+H-H2O]+ 347.01688 169.2
[M+HCOO]- 409.01782 177.1
[M+CH3COO]- 423.03347 183.7
[M+Na-2H]- 384.99429 177.1
[M]+ 364.01907 173.1
[M]- 364.02017 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.