CID 3074699

160807-89-6

Structural Information

Molecular Formula
C29H28N2O3
SMILES
COC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)NC(C3=CC=CC=C3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C29H28N2O3/c1-33-25-17-13-23(14-18-25)27(21-9-5-3-6-10-21)30-29(32)31-28(22-11-7-4-8-12-22)24-15-19-26(34-2)20-16-24/h3-20,27-28H,1-2H3,(H2,30,31,32)
InChIKey
LWCAUKGHWFGEJX-UHFFFAOYSA-N
Compound name
1,3-bis[(4-methoxyphenyl)-phenylmethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.21 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.21728 215.2
[M+Na]+ 475.19922 229.4
[M+NH4]+ 470.24382 222.1
[M+K]+ 491.17316 220.2
[M-H]- 451.20272 224.6
[M+Na-2H]- 473.18467 227.2
[M]+ 452.20945 219.9
[M]- 452.21055 219.9
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.