CID 4353585

78290-68-3

Structural Information

Molecular Formula

C₁₅H₁₆N₂OS

SMILES

C1=CC=C(C=C1)C(CO)NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C15H16N2OS/c18-11-14(12-7-3-1-4-8-12)17-15(19)16-13-9-5-2-6-10-13/h1-10,14,18H,11H2,(H2,16,17,19)

InChIKey

HCEZOXQABNTWFL-UHFFFAOYSA-N

Compound name

1-(2-hydroxy-1-phenylethyl)-3-phenylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 272.09833 Da
Monoisotopic Mass: 2.4
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]+	273.105606	160.9
[M+Na]+	295.087548	165.0
[M-H]-	271.091054	165.6
[M+NH4]+	290.132153	175.8
[M+K]+	311.061488	159.7
[M+H-H2O]+	255.095590	153.2
[M+HCOO]-	317.096531	178.7
[M+CH3COO]-	331.112181	197.7
[M+Na-2H]-	293.072996	164.0
[M]+	272.09778142	158.6
[M]-	272.09887858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe