CID 212320

Brn 5947000

Structural Information

Molecular Formula
C7H7N3OS3
SMILES
CSC1=C(C(=NS1)SCC(=O)N)C#N
InChI
InChI=1S/C7H7N3OS3/c1-12-7-4(2-8)6(10-14-7)13-3-5(9)11/h3H2,1H3,(H2,9,11)
InChIKey
YNUXXVYWLRMLJK-UHFFFAOYSA-N
Compound name
2-[(4-cyano-5-methylsulfanyl-1,2-thiazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

244.97513 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.98241 157.8
[M+Na]+ 267.96435 168.8
[M-H]- 243.96785 160.3
[M+NH4]+ 263.00895 174.2
[M+K]+ 283.93829 164.6
[M+H-H2O]+ 227.97239 145.7
[M+HCOO]- 289.97333 162.1
[M+CH3COO]- 303.98898 202.7
[M+Na-2H]- 265.94980 155.3
[M]+ 244.97458 154.8
[M]- 244.97568 154.8
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

No patent data available for this compound.