CID 3070474

86503-30-2

Structural Information

Molecular Formula

C₁₅H₂₁N₃O₂S

SMILES

CN(C)CCCN1C(=O)C(NC1=S)CC2=CC=C(C=C2)O

InChI

InChI=1S/C15H21N3O2S/c1-17(2)8-3-9-18-14(20)13(16-15(18)21)10-11-4-6-12(19)7-5-11/h4-7,13,19H,3,8-10H2,1-2H3,(H,16,21)

InChIKey

BWLRGSSLZXCLFU-UHFFFAOYSA-N

Compound name

3-[3-(dimethylamino)propyl]-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 307.13544 Da
Monoisotopic Mass: 1.8
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]+	308.142716	172.4
[M+Na]+	330.124658	179.2
[M-H]-	306.128164	175.3
[M+NH4]+	325.169263	186.4
[M+K]+	346.098598	174.0
[M+H-H2O]+	290.132700	164.8
[M+HCOO]-	352.133641	186.0
[M+CH3COO]-	366.149291	205.1
[M+Na-2H]-	328.110106	169.0
[M]+	307.13489142	173.1
[M]-	307.13598858	173.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.