CID 3051897

Urea, n-(3,4,5-trimethoxyphenyl)-n'-((3,4,5-trimethoxyphenyl)methyl)-

Structural Information

Molecular Formula
C20H26N2O7
SMILES
COC1=CC(=CC(=C1OC)OC)CNC(=O)NC2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C20H26N2O7/c1-24-14-7-12(8-15(25-2)18(14)28-5)11-21-20(23)22-13-9-16(26-3)19(29-6)17(10-13)27-4/h7-10H,11H2,1-6H3,(H2,21,22,23)
InChIKey
NZMWVTYLYLSAJR-UHFFFAOYSA-N
Compound name
1-(3,4,5-trimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.174 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.181276 194.1
[M+Na]+ 429.163218 200.6
[M-H]- 405.166724 201.4
[M+NH4]+ 424.207823 204.7
[M+K]+ 445.137158 200.5
[M+H-H2O]+ 389.171260 184.3
[M+HCOO]- 451.172201 218.8
[M+CH3COO]- 465.187851 231.2
[M+Na-2H]- 427.148666 194.9
[M]+ 406.17345142 204.6
[M]- 406.17454858 204.6
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.