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]+ 407.18128 194.1
[M+Na]+ 429.16322 200.6
[M-H]- 405.16672 201.4
[M+NH4]+ 424.20782 204.7
[M+K]+ 445.13716 200.5
[M+H-H2O]+ 389.17126 184.3
[M+HCOO]- 451.17220 218.8
[M+CH3COO]- 465.18785 231.2
[M+Na-2H]- 427.14867 194.9
[M]+ 406.17345 204.6
[M]- 406.17455 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.