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

251
Patents

172.04189 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.049166 134.4
[M+Na]+ 195.031108 144.8
[M-H]- 171.034614 133.9
[M+NH4]+ 190.075713 152.7
[M+K]+ 211.005048 141.5
[M+H-H2O]+ 155.039150 127.7
[M+HCOO]- 217.040091 150.9
[M+CH3COO]- 231.055741 176.5
[M+Na-2H]- 193.016556 135.9
[M]+ 172.04134142 134.8
[M]- 172.04243858 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