CID 2850345

N,n'-bis((4-fluorophenyl)phenylmethyl)urea

Structural Information

Molecular Formula
C27H22F2N2O
SMILES
C1=CC=C(C=C1)C(C2=CC=C(C=C2)F)NC(=O)NC(C3=CC=CC=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C27H22F2N2O/c28-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)30-27(32)31-26(20-9-5-2-6-10-20)22-13-17-24(29)18-14-22/h1-18,25-26H,(H2,30,31,32)
InChIKey
PYABQJXVKPIZGM-UHFFFAOYSA-N
Compound name
1,3-bis[(4-fluorophenyl)-phenylmethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.17 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.17728 205.2
[M+Na]+ 451.15922 218.3
[M+NH4]+ 446.20382 211.7
[M+K]+ 467.13316 208.9
[M-H]- 427.16272 212.0
[M+Na-2H]- 449.14467 216.4
[M]+ 428.16945 208.9
[M]- 428.17055 208.9
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.