CID 708455

2,6-diethylphenylthiourea

Structural Information

Molecular Formula

C₁₁H₁₆N₂S

SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)N

InChI

InChI=1S/C11H16N2S/c1-3-8-6-5-7-9(4-2)10(8)13-11(12)14/h5-7H,3-4H2,1-2H3,(H3,12,13,14)

InChIKey

UQCMKQLHZQIUHB-UHFFFAOYSA-N

Compound name

(2,6-diethylphenyl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 208.10342 Da
Monoisotopic Mass: 1.9
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]+	209.11070	146.3
[M+Na]+	231.09264	153.2
[M-H]-	207.09614	149.7
[M+NH4]+	226.13724	165.3
[M+K]+	247.06658	149.0
[M+H-H2O]+	191.10068	139.9
[M+HCOO]-	253.10162	165.2
[M+CH3COO]-	267.11727	191.8
[M+Na-2H]-	229.07809	147.3
[M]+	208.10287	145.9
[M]-	208.10397	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe