CID 11970582

71521-92-1

Structural Information

Molecular Formula
C5H8N4OS
SMILES
CC(=O)NC1=NNC(=S)N1C
InChI
InChI=1S/C5H8N4OS/c1-3(10)6-4-7-8-5(11)9(4)2/h1-2H3,(H,8,11)(H,6,7,10)
InChIKey
OQSOCBWRGQBAJC-UHFFFAOYSA-N
Compound name
N-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

201
Patents

172.04189 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.04917 134.4
[M+Na]+ 195.03111 144.8
[M-H]- 171.03461 133.9
[M+NH4]+ 190.07571 152.7
[M+K]+ 211.00505 141.5
[M+H-H2O]+ 155.03915 127.7
[M+HCOO]- 217.04009 150.9
[M+CH3COO]- 231.05574 176.5
[M+Na-2H]- 193.01656 135.9
[M]+ 172.04134 134.8
[M]- 172.04244 134.8
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