CID 135545742

Nsc147440

Structural Information

Molecular Formula

C₉H₁₀N₂OS₂

SMILES

CSC(=S)N/N=C/C1=CC=CC=C1O

InChI

InChI=1S/C9H10N2OS2/c1-14-9(13)11-10-6-7-4-2-3-5-8(7)12/h2-6,12H,1H3,(H,11,13)/b10-6+

InChIKey

SATLYQNFXURMCO-UXBLZVDNSA-N

Compound name

methyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 226.02345 Da
Monoisotopic Mass: 2.4
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]+	227.03073	145.6
[M+Na]+	249.01267	152.5
[M-H]-	225.01617	148.8
[M+NH4]+	244.05727	163.7
[M+K]+	264.98661	147.1
[M+H-H2O]+	209.02071	138.9
[M+HCOO]-	271.02165	160.0
[M+CH3COO]-	285.03730	189.8
[M+Na-2H]-	246.99812	147.4
[M]+	226.02290	146.1
[M]-	226.02400	146.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.