CID 75046917

1192027-04-5

Structural Information

Molecular Formula
C5H7N3S3
SMILES
CN(C)C=NC1=NC(=S)SS1
InChI
InChI=1S/C5H7N3S3/c1-8(2)3-6-4-7-5(9)11-10-4/h3H,1-2H3
InChIKey
YRDSDHFBUHFDPG-UHFFFAOYSA-N
Compound name
N,N-dimethyl-N'-(5-sulfanylidene-1,2,4-dithiazol-3-yl)methanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

568
Patents

204.98021 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.98749 139.0
[M+Na]+ 227.96943 149.1
[M-H]- 203.97293 143.8
[M+NH4]+ 223.01403 159.7
[M+K]+ 243.94337 144.4
[M+H-H2O]+ 187.97747 132.3
[M+HCOO]- 249.97841 150.5
[M+CH3COO]- 263.99406 190.8
[M+Na-2H]- 225.95488 139.4
[M]+ 204.97966 141.4
[M]- 204.98076 141.4
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

patents stripe