CID 4548332

4,4'-bis(n,n-dimethylureido)-3,3'-dimethoxybiphenyl

Structural Information

Molecular Formula
C20H26N4O4
SMILES
CN(C)C(=O)NC1=C(C=C(C=C1)C2=CC(=C(C=C2)NC(=O)N(C)C)OC)OC
InChI
InChI=1S/C20H26N4O4/c1-23(2)19(25)21-15-9-7-13(11-17(15)27-5)14-8-10-16(18(12-14)28-6)22-20(26)24(3)4/h7-12H,1-6H3,(H,21,25)(H,22,26)
InChIKey
QNQOYMPKSYMGBD-UHFFFAOYSA-N
Compound name
3-[4-[4-(dimethylcarbamoylamino)-3-methoxyphenyl]-2-methoxyphenyl]-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1954 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.20268 194.4
[M+Na]+ 409.18462 203.2
[M+NH4]+ 404.22922 199.2
[M+K]+ 425.15856 199.0
[M-H]- 385.18812 199.0
[M+Na-2H]- 407.17007 200.0
[M]+ 386.19485 196.5
[M]- 386.19595 196.5
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.