CID 5277311

[3-[(4-phenylphenyl)methoxy]phenyl]thiourea

Structural Information

Molecular Formula
C20H18N2OS
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)COC3=CC=CC(=C3)NC(=S)N
InChI
InChI=1S/C20H18N2OS/c21-20(24)22-18-7-4-8-19(13-18)23-14-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-13H,14H2,(H3,21,22,24)
InChIKey
XIGSCFASUOGHMJ-UHFFFAOYSA-N
Compound name
[3-[(4-phenylphenyl)methoxy]phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

334.11398 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.12126 177.5
[M+Na]+ 357.10320 183.3
[M-H]- 333.10670 186.3
[M+NH4]+ 352.14780 190.3
[M+K]+ 373.07714 176.3
[M+H-H2O]+ 317.11124 168.3
[M+HCOO]- 379.11218 196.9
[M+CH3COO]- 393.12783 187.6
[M+Na-2H]- 355.08865 179.9
[M]+ 334.11343 176.7
[M]- 334.11453 176.7
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.