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

literature stripe

Patent stripe

patents stripe