CID 719408

14901-16-7

Structural Information

Molecular Formula

C₁₀H₉N₃S₂

SMILES

C1=CC=C(C=C1)NC(=S)NC2=NC=CS2

InChI

InChI=1S/C10H9N3S2/c14-9(13-10-11-6-7-15-10)12-8-4-2-1-3-5-8/h1-7H,(H2,11,12,13,14)

InChIKey

GCZZOZBWAZHCAN-UHFFFAOYSA-N

Compound name

1-phenyl-3-(1,3-thiazol-2-yl)thiourea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 59
References: 109
Patents: 235.02379 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]+	236.03107	146.2
[M+Na]+	258.01301	156.5
[M+NH4]+	253.05761	155.4
[M+K]+	273.98695	148.0
[M-H]-	234.01651	150.9
[M+Na-2H]-	255.99846	153.8
[M]+	235.02324	149.7
[M]-	235.02434	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe