CID 5277338

[1-(4-phenoxyphenyl)cyclopentyl]thiourea

Structural Information

Molecular Formula
C18H20N2OS
SMILES
C1CCC(C1)(C2=CC=C(C=C2)OC3=CC=CC=C3)NC(=S)N
InChI
InChI=1S/C18H20N2OS/c19-17(22)20-18(12-4-5-13-18)14-8-10-16(11-9-14)21-15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-13H2,(H3,19,20,22)
InChIKey
JVLMEYNQKMBKAD-UHFFFAOYSA-N
Compound name
[1-(4-phenoxyphenyl)cyclopentyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

312.12964 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13692 172.4
[M+Na]+ 335.11886 177.3
[M-H]- 311.12236 181.1
[M+NH4]+ 330.16346 189.8
[M+K]+ 351.09280 171.9
[M+H-H2O]+ 295.12690 164.8
[M+HCOO]- 357.12784 190.7
[M+CH3COO]- 371.14349 182.8
[M+Na-2H]- 333.10431 173.4
[M]+ 312.12909 169.3
[M]- 312.13019 169.3
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.