CID 1227420

N-(5-sulfanyl-3h-1,2,4-dithiazol-3-ylidene)acetamide

Structural Information

Molecular Formula
C4H4N2OS3
SMILES
CC(=O)NC1=NC(=S)SS1
InChI
InChI=1S/C4H4N2OS3/c1-2(7)5-3-6-4(8)10-9-3/h1H3,(H,5,6,7,8)
InChIKey
MOFKZGWCLBNHNS-UHFFFAOYSA-N
Compound name
N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

15
Patents

191.94858 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.955856 134.8
[M+Na]+ 214.937798 145.1
[M-H]- 190.941304 137.1
[M+NH4]+ 209.982403 154.9
[M+K]+ 230.911738 139.5
[M+H-H2O]+ 174.945840 129.3
[M+HCOO]- 236.946781 143.3
[M+CH3COO]- 250.962431 180.3
[M+Na-2H]- 212.923246 134.4
[M]+ 191.94803142 135.5
[M]- 191.94912858 135.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe