CID 5357391

[(z)-phenethylideneamino]thiourea

Structural Information

Molecular Formula

C₉H₁₁N₃S

SMILES

C1=CC=C(C=C1)C/C=N\NC(=S)N

InChI

InChI=1S/C9H11N3S/c10-9(13)12-11-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,10,12,13)/b11-7-

InChIKey

JQXRKGPSYZEZTO-XFFZJAGNSA-N

Compound name

[(Z)-2-phenylethylideneamino]thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 193.06737 Da
Monoisotopic Mass: 1.1
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]+	194.074646	140.2
[M+Na]+	216.056588	146.1
[M-H]-	192.060094	144.5
[M+NH4]+	211.101193	159.5
[M+K]+	232.030528	142.5
[M+H-H2O]+	176.064630	133.0
[M+HCOO]-	238.065571	162.4
[M+CH3COO]-	252.081221	189.5
[M+Na-2H]-	214.042036	144.5
[M]+	193.06682142	138.5
[M]-	193.06791858	138.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.