CID 71366567

50499-84-8

Structural Information

Molecular Formula
C3H2N2OS3
SMILES
C(=O)NC1=NC(=S)SS1
InChI
InChI=1S/C3H2N2OS3/c6-1-4-2-5-3(7)9-8-2/h1H,(H,4,5,6,7)
InChIKey
UIZFBDXFRMQNQK-UHFFFAOYSA-N
Compound name
N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.93292 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.94020 129.9
[M+Na]+ 200.92214 141.0
[M-H]- 176.92564 132.4
[M+NH4]+ 195.96674 150.7
[M+K]+ 216.89608 135.2
[M+H-H2O]+ 160.93018 124.6
[M+HCOO]- 222.93112 139.9
[M+CH3COO]- 236.94677 177.3
[M+Na-2H]- 198.90759 130.8
[M]+ 177.93237 130.9
[M]- 177.93347 130.9
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.