CID 5277317

(3-phenethyloxyphenyl)thiourea

Structural Information

Molecular Formula
C15H16N2OS
SMILES
C1=CC=C(C=C1)CCOC2=CC=CC(=C2)NC(=S)N
InChI
InChI=1S/C15H16N2OS/c16-15(19)17-13-7-4-8-14(11-13)18-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H3,16,17,19)
InChIKey
NSRWDUDSMPTHKQ-UHFFFAOYSA-N
Compound name
[3-(2-phenylethoxy)phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

272.09833 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.10561 161.0
[M+Na]+ 295.08755 166.7
[M-H]- 271.09105 166.8
[M+NH4]+ 290.13215 176.6
[M+K]+ 311.06149 161.3
[M+H-H2O]+ 255.09559 153.0
[M+HCOO]- 317.09653 180.6
[M+CH3COO]- 331.11218 200.5
[M+Na-2H]- 293.07300 163.8
[M]+ 272.09778 160.6
[M]- 272.09888 160.6
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

No patent data available for this compound.