CID 541631

2-((3-((2-amino-2-oxoethyl)thio)-1,2,4-thiadiazol-5-yl)thio)acetamide

Structural Information

Molecular Formula
C6H8N4O2S3
SMILES
C(C(=O)N)SC1=NSC(=N1)SCC(=O)N
InChI
InChI=1S/C6H8N4O2S3/c7-3(11)1-13-5-9-6(15-10-5)14-2-4(8)12/h1-2H2,(H2,7,11)(H2,8,12)
InChIKey
MMLSPVFRUAEDSG-UHFFFAOYSA-N
Compound name
2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

263.98093 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.98821 150.6
[M+Na]+ 286.97015 158.3
[M-H]- 262.97365 149.8
[M+NH4]+ 282.01475 165.3
[M+K]+ 302.94409 152.0
[M+H-H2O]+ 246.97819 143.8
[M+HCOO]- 308.97913 156.3
[M+CH3COO]- 322.99478 195.5
[M+Na-2H]- 284.95560 148.5
[M]+ 263.98038 150.4
[M]- 263.98148 150.4
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.