CID 5277337

Thiourea, [1-methyl-1-(4-phenoxyphenyl)ethyl]-

Structural Information

Molecular Formula
C16H18N2OS
SMILES
CC(C)(C1=CC=C(C=C1)OC2=CC=CC=C2)NC(=S)N
InChI
InChI=1S/C16H18N2OS/c1-16(2,18-15(17)20)12-8-10-14(11-9-12)19-13-6-4-3-5-7-13/h3-11H,1-2H3,(H3,17,18,20)
InChIKey
HKDLOXBJNFIECW-UHFFFAOYSA-N
Compound name
2-(4-phenoxyphenyl)propan-2-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

286.11398 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12126 166.2
[M+Na]+ 309.10320 171.8
[M-H]- 285.10670 172.2
[M+NH4]+ 304.14780 181.4
[M+K]+ 325.07714 166.8
[M+H-H2O]+ 269.11124 158.6
[M+HCOO]- 331.11218 184.0
[M+CH3COO]- 345.12783 203.8
[M+Na-2H]- 307.08865 169.3
[M]+ 286.11343 165.7
[M]- 286.11453 165.7
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

patents stripe