CID 16729255

Chembl390918

Structural Information

Molecular Formula
C8H10N6OS2
SMILES
CC(=O)NC1=NC(=CS1)CC2=NNC(=S)N2N
InChI
InChI=1S/C8H10N6OS2/c1-4(15)10-7-11-5(3-17-7)2-6-12-13-8(16)14(6)9/h3H,2,9H2,1H3,(H,13,16)(H,10,11,15)
InChIKey
NGLJEWVPKWMIAJ-UHFFFAOYSA-N
Compound name
N-[4-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

270.03574 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.04302 154.8
[M+Na]+ 293.02496 167.0
[M-H]- 269.02846 157.0
[M+NH4]+ 288.06956 169.7
[M+K]+ 308.99890 160.6
[M+H-H2O]+ 253.03300 148.1
[M+HCOO]- 315.03394 168.0
[M+CH3COO]- 329.04959 166.4
[M+Na-2H]- 291.01041 153.2
[M]+ 270.03519 156.7
[M]- 270.03629 156.7
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.