CID 3074701

160807-91-0

Structural Information

Molecular Formula
C29H26F2N2O
SMILES
CC1=CC=C(C=C1)C(C2=CC=C(C=C2)F)NC(=O)NC(C3=CC=C(C=C3)C)C4=CC=C(C=C4)F
InChI
InChI=1S/C29H26F2N2O/c1-19-3-7-21(8-4-19)27(23-11-15-25(30)16-12-23)32-29(34)33-28(22-9-5-20(2)6-10-22)24-13-17-26(31)18-14-24/h3-18,27-28H,1-2H3,(H2,32,33,34)
InChIKey
ZOXHVHOHWAFQOE-UHFFFAOYSA-N
Compound name
1,3-bis[(4-fluorophenyl)-(4-methylphenyl)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.20132 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.20860 215.1
[M+Na]+ 479.19054 228.4
[M+NH4]+ 474.23514 221.2
[M+K]+ 495.16448 218.9
[M-H]- 455.19404 222.0
[M+Na-2H]- 477.17599 225.2
[M]+ 456.20077 218.9
[M]- 456.20187 218.9
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.