CID 3034589

5789-21-9

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂S

SMILES

CC(C1C(=O)N(C(=S)N1)C2=CC=CC=C2)O

InChI

InChI=1S/C11H12N2O2S/c1-7(14)9-10(15)13(11(16)12-9)8-5-3-2-4-6-8/h2-7,9,14H,1H3,(H,12,16)

InChIKey

ZPBWLZAKZOHLOP-UHFFFAOYSA-N

Compound name

5-(1-hydroxyethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 236.06195 Da
Monoisotopic Mass: 1.6
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]+	237.069226	152.0
[M+Na]+	259.051168	160.3
[M-H]-	235.054674	154.0
[M+NH4]+	254.095773	168.3
[M+K]+	275.025108	155.3
[M+H-H2O]+	219.059210	145.6
[M+HCOO]-	281.060151	164.5
[M+CH3COO]-	295.075801	184.4
[M+Na-2H]-	257.036616	149.9
[M]+	236.06140142	149.8
[M]-	236.06249858	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe