CID 853760

N-phenyl-n'-3-hydroxyphenylthiourea

Structural Information

Molecular Formula

C₁₃H₁₂N₂OS

SMILES

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

InChI

InChI=1S/C13H12N2OS/c16-12-8-4-7-11(9-12)15-13(17)14-10-5-2-1-3-6-10/h1-9,16H,(H2,14,15,17)

InChIKey

BTFREYNHBKXMCJ-UHFFFAOYSA-N

Compound name

1-(3-hydroxyphenyl)-3-phenylthiourea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 13
References: 8
Patents: 244.06703 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]+	245.07431	152.7
[M+Na]+	267.05625	164.8
[M+NH4]+	262.10085	161.5
[M+K]+	283.03019	155.8
[M-H]-	243.05975	158.1
[M+Na-2H]-	265.04170	161.7
[M]+	244.06648	156.3
[M]-	244.06758	156.3

Literature stripe

literature stripe

Patent stripe

patents stripe