CID 5277312

[3-[(1s)-1-phenylethoxy]phenyl]thiourea

Structural Information

Molecular Formula
C15H16N2OS
SMILES
C[C@@H](C1=CC=CC=C1)OC2=CC=CC(=C2)NC(=S)N
InChI
InChI=1S/C15H16N2OS/c1-11(12-6-3-2-4-7-12)18-14-9-5-8-13(10-14)17-15(16)19/h2-11H,1H3,(H3,16,17,19)/t11-/m0/s1
InChIKey
HUIGXVYUJPJCJM-NSHDSACASA-N
Compound name
[3-[(1S)-1-phenylethoxy]phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

272.09833 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.10561 161.7
[M+Na]+ 295.08755 167.0
[M-H]- 271.09105 167.6
[M+NH4]+ 290.13215 177.2
[M+K]+ 311.06149 162.2
[M+H-H2O]+ 255.09559 153.8
[M+HCOO]- 317.09653 180.2
[M+CH3COO]- 331.11218 201.4
[M+Na-2H]- 293.07300 163.4
[M]+ 272.09778 160.7
[M]- 272.09888 160.7
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.