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

5
Patents

272.09833 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.10561 161.3
[M+Na]+ 295.08755 172.2
[M+NH4]+ 290.13215 169.6
[M+K]+ 311.06149 163.4
[M-H]- 271.09105 166.3
[M+Na-2H]- 293.07300 169.7
[M]+ 272.09778 164.5
[M]- 272.09888 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe