CID 3038225

19071-57-9

Structural Information

Molecular Formula
C16H18N2OS
SMILES
C1=CC=C(C=C1)CC(CO)NC(=S)NC2=CC=CC=C2
InChI
InChI=1S/C16H18N2OS/c19-12-15(11-13-7-3-1-4-8-13)18-16(20)17-14-9-5-2-6-10-14/h1-10,15,19H,11-12H2,(H2,17,18,20)
InChIKey
IEARYCDXADWMMH-UHFFFAOYSA-N
Compound name
1-(1-hydroxy-3-phenylpropan-2-yl)-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.11398 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12126 165.2
[M+Na]+ 309.10320 168.8
[M-H]- 285.10670 169.7
[M+NH4]+ 304.14780 179.5
[M+K]+ 325.07714 163.3
[M+H-H2O]+ 269.11124 157.3
[M+HCOO]- 331.11218 182.6
[M+CH3COO]- 345.12783 200.7
[M+Na-2H]- 307.08865 167.8
[M]+ 286.11343 163.2
[M]- 286.11453 163.2
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

No patent data available for this compound.