CID 3074700

N,n'-bis((3-fluorophenyl)(4-methylphenyl)methyl)urea

Structural Information

Molecular Formula
C29H26F2N2O
SMILES
CC1=CC=C(C=C1)C(C2=CC(=CC=C2)F)NC(=O)NC(C3=CC=C(C=C3)C)C4=CC(=CC=C4)F
InChI
InChI=1S/C29H26F2N2O/c1-19-9-13-21(14-10-19)27(23-5-3-7-25(30)17-23)32-29(34)33-28(22-15-11-20(2)12-16-22)24-6-4-8-26(31)18-24/h3-18,27-28H,1-2H3,(H2,32,33,34)
InChIKey
UWFPMNQOCHTGCB-UHFFFAOYSA-N
Compound name
1,3-bis[(3-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 213.6
[M+Na]+ 479.19054 217.3
[M-H]- 455.19404 222.6
[M+NH4]+ 474.23514 220.3
[M+K]+ 495.16448 210.0
[M+H-H2O]+ 439.19858 199.9
[M+HCOO]- 501.19952 232.1
[M+CH3COO]- 515.21517 220.3
[M+Na-2H]- 477.17599 211.6
[M]+ 456.20077 209.2
[M]- 456.20187 209.2
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.