CID 3708377

N-(4-phenoxyphenyl)-n'-(3-(trifluoromethyl)phenyl)urea

Structural Information

Molecular Formula
C20H15F3N2O2
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C20H15F3N2O2/c21-20(22,23)14-5-4-6-16(13-14)25-19(26)24-15-9-11-18(12-10-15)27-17-7-2-1-3-8-17/h1-13H,(H2,24,25,26)
InChIKey
QUYOXLJKJXWIBL-UHFFFAOYSA-N
Compound name
1-(4-phenoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.10855 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.11583 184.0
[M+Na]+ 395.09777 190.0
[M-H]- 371.10127 189.5
[M+NH4]+ 390.14237 194.7
[M+K]+ 411.07171 184.3
[M+H-H2O]+ 355.10581 171.6
[M+HCOO]- 417.10675 204.3
[M+CH3COO]- 431.12240 218.8
[M+Na-2H]- 393.08322 188.5
[M]+ 372.10800 179.4
[M]- 372.10910 179.4
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.