CID 311077

1,3-bis(2,5-dimethoxyphenyl)urea

Structural Information

Molecular Formula
C17H20N2O5
SMILES
COC1=CC(=C(C=C1)OC)NC(=O)NC2=C(C=CC(=C2)OC)OC
InChI
InChI=1S/C17H20N2O5/c1-21-11-5-7-15(23-3)13(9-11)18-17(20)19-14-10-12(22-2)6-8-16(14)24-4/h5-10H,1-4H3,(H2,18,19,20)
InChIKey
GXMYIWLJMJOXNI-UHFFFAOYSA-N
Compound name
1,3-bis(2,5-dimethoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

332.1372 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.14448 175.8
[M+Na]+ 355.12642 182.4
[M-H]- 331.12992 183.0
[M+NH4]+ 350.17102 189.2
[M+K]+ 371.10036 181.1
[M+H-H2O]+ 315.13446 166.8
[M+HCOO]- 377.13540 201.3
[M+CH3COO]- 391.15105 215.2
[M+Na-2H]- 353.11187 179.1
[M]+ 332.13665 181.6
[M]- 332.13775 181.6
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

patents stripe