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

6
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 160.9
[M+Na]+ 295.08755 165.0
[M-H]- 271.09105 165.6
[M+NH4]+ 290.13215 175.8
[M+K]+ 311.06149 159.7
[M+H-H2O]+ 255.09559 153.2
[M+HCOO]- 317.09653 178.7
[M+CH3COO]- 331.11218 197.7
[M+Na-2H]- 293.07300 164.0
[M]+ 272.09778 158.6
[M]- 272.09888 158.6
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