CID 2760335

15093-42-2

Structural Information

Molecular Formula

C₁₅H₁₆N₂S

SMILES

C1=CC=C(C=C1)CCNC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C15H16N2S/c18-15(17-14-9-5-2-6-10-14)16-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H2,16,17,18)

InChIKey

MQOBLGHESXFRAZ-UHFFFAOYSA-N

Compound name

1-phenyl-3-(2-phenylethyl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 39
Patents: 256.10342 Da
Monoisotopic Mass: 3.0
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]+	257.110696	157.0
[M+Na]+	279.092638	162.1
[M-H]-	255.096144	163.1
[M+NH4]+	274.137243	173.5
[M+K]+	295.066578	156.5
[M+H-H2O]+	239.100680	149.1
[M+HCOO]-	301.101621	177.1
[M+CH3COO]-	315.117271	197.2
[M+Na-2H]-	277.078086	161.5
[M]+	256.10287142	155.8
[M]-	256.10396858	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe