CID 381665

Nsc668493

Structural Information

Molecular Formula

C₁₃H₁₆N₄OS

SMILES

CCN(CC)C(=S)N=NC1=C(NC2=CC=CC=C21)O

InChI

InChI=1S/C13H16N4OS/c1-3-17(4-2)13(19)16-15-11-9-7-5-6-8-10(9)14-12(11)18/h5-8,14,18H,3-4H2,1-2H3

InChIKey

RKVXMJSQFZAMTJ-UHFFFAOYSA-N

Compound name

1,1-diethyl-3-[(2-hydroxy-1H-indol-3-yl)imino]thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 276.1045 Da
Monoisotopic Mass: 3.4
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]+	277.111776	162.1
[M+Na]+	299.093718	170.2
[M-H]-	275.097224	167.4
[M+NH4]+	294.138323	180.5
[M+K]+	315.067658	166.6
[M+H-H2O]+	259.101760	154.6
[M+HCOO]-	321.102701	183.9
[M+CH3COO]-	335.118351	206.6
[M+Na-2H]-	297.079166	165.5
[M]+	276.10395142	166.3
[M]-	276.10504858	166.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.