CID 3034485

2,2'-diethylthiocarbanilide

Structural Information

Molecular Formula

C₁₇H₂₀N₂S

SMILES

CCC1=CC=CC=C1NC(=S)NC2=CC=CC=C2CC

InChI

InChI=1S/C17H20N2S/c1-3-13-9-5-7-11-15(13)18-17(20)19-16-12-8-6-10-14(16)4-2/h5-12H,3-4H2,1-2H3,(H2,18,19,20)

InChIKey

WYMLGVPROUZGCI-UHFFFAOYSA-N

Compound name

1,3-bis(2-ethylphenyl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 284.1347 Da
Monoisotopic Mass: 4.7
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]+	285.141976	166.3
[M+Na]+	307.123918	172.2
[M-H]-	283.127424	172.7
[M+NH4]+	302.168523	182.2
[M+K]+	323.097858	166.2
[M+H-H2O]+	267.131960	158.3
[M+HCOO]-	329.132901	185.6
[M+CH3COO]-	343.148551	205.5
[M+Na-2H]-	305.109366	168.3
[M]+	284.13415142	166.5
[M]-	284.13524858	166.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe