CID 720905

2-(phenoxyacetyl)-n-phenylhydrazinecarbothioamide

Structural Information

Molecular Formula

C₁₅H₁₅N₃O₂S

SMILES

C1=CC=C(C=C1)NC(=S)NNC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C15H15N3O2S/c19-14(11-20-13-9-5-2-6-10-13)17-18-15(21)16-12-7-3-1-4-8-12/h1-10H,11H2,(H,17,19)(H2,16,18,21)

InChIKey

KKCLLGSGXWTWDV-UHFFFAOYSA-N

Compound name

1-[(2-phenoxyacetyl)amino]-3-phenylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 301.0885 Da
Monoisotopic Mass: 2.7
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]+	302.095776	167.0
[M+Na]+	324.077718	170.9
[M-H]-	300.081224	173.0
[M+NH4]+	319.122323	180.9
[M+K]+	340.051658	166.4
[M+H-H2O]+	284.085760	158.3
[M+HCOO]-	346.086701	187.6
[M+CH3COO]-	360.102351	205.3
[M+Na-2H]-	322.063166	171.3
[M]+	301.08795142	166.3
[M]-	301.08904858	166.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.