CID 2761225

494763-19-8

Structural Information

Molecular Formula
C7H8N4S4
SMILES
CC1=NN=C(S1)SCSC(=NC#N)SC
InChI
InChI=1S/C7H8N4S4/c1-5-10-11-7(15-5)14-4-13-6(12-2)9-3-8/h4H2,1-2H3
InChIKey
WJTHAAHHRYXVEQ-UHFFFAOYSA-N
Compound name
[methylsulfanyl-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethylsulfanyl]methylidene]cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.9632 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.97048 164.0
[M+Na]+ 298.95242 175.1
[M-H]- 274.95592 166.1
[M+NH4]+ 293.99702 178.7
[M+K]+ 314.92636 170.3
[M+H-H2O]+ 258.96046 151.6
[M+HCOO]- 320.96140 163.4
[M+CH3COO]- 334.97705 208.6
[M+Na-2H]- 296.93787 162.4
[M]+ 275.96265 160.4
[M]- 275.96375 160.4
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.