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 211.5
[M+Na]+ 475.19922 212.8
[M-H]- 451.20272 222.6
[M+NH4]+ 470.24382 217.7
[M+K]+ 491.17316 208.0
[M+H-H2O]+ 435.20726 199.1
[M+HCOO]- 497.20820 232.5
[M+CH3COO]- 511.22385 237.4
[M+Na-2H]- 473.18467 212.7
[M]+ 452.20945 210.8
[M]- 452.21055 210.8
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.