CID 2735356

36209-49-1

Structural Information

Molecular Formula

C₉H₁₀N₄OS

SMILES

COC1=CC=C(C=C1)C2=NNC(=S)N2N

InChI

InChI=1S/C9H10N4OS/c1-14-7-4-2-6(3-5-7)8-11-12-9(15)13(8)10/h2-5H,10H2,1H3,(H,12,15)

InChIKey

WNMOXHUUEHEKLB-UHFFFAOYSA-N

Compound name

4-amino-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 16
Patents: 222.05753 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	223.06481	146.9
[M+Na]+	245.04675	159.1
[M+NH4]+	240.09135	154.0
[M+K]+	261.02069	153.5
[M-H]-	221.05025	148.8
[M+Na-2H]-	243.03220	153.0
[M]+	222.05698	149.4
[M]-	222.05808	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe