CID 5907910

Nsc622687

Structural Information

Molecular Formula
C11H17N3S4
SMILES
CN(C)C(=S)/N=C\1/N(C(=S)SS1)C2CCCCC2
InChI
InChI=1S/C11H17N3S4/c1-13(2)9(15)12-10-14(11(16)18-17-10)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3/b12-10-
InChIKey
ABWAJSDROQUJFX-BENRWUELSA-N
Compound name
(3Z)-3-(4-cyclohexyl-5-sulfanylidene-1,2,4-dithiazolidin-3-ylidene)-1,1-dimethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.03052 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.03780 170.6
[M+Na]+ 342.01974 177.6
[M-H]- 318.02324 175.4
[M+NH4]+ 337.06434 186.0
[M+K]+ 357.99368 169.2
[M+H-H2O]+ 302.02778 163.9
[M+HCOO]- 364.02872 171.1
[M+CH3COO]- 378.04437 179.0
[M+Na-2H]- 340.00519 168.0
[M]+ 319.02997 166.4
[M]- 319.03107 166.4
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.