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]+	194.07465	140.2
[M+Na]+	216.05659	146.1
[M-H]-	192.06009	144.5
[M+NH4]+	211.10119	159.5
[M+K]+	232.03053	142.5
[M+H-H2O]+	176.06463	133.0
[M+HCOO]-	238.06557	162.4
[M+CH3COO]-	252.08122	189.5
[M+Na-2H]-	214.04204	144.5
[M]+	193.06682	138.5
[M]-	193.06792	138.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.