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

2
Patents

332.1372 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.144476 175.8
[M+Na]+ 355.126418 182.4
[M-H]- 331.129924 183.0
[M+NH4]+ 350.171023 189.2
[M+K]+ 371.100358 181.1
[M+H-H2O]+ 315.134460 166.8
[M+HCOO]- 377.135401 201.3
[M+CH3COO]- 391.151051 215.2
[M+Na-2H]- 353.111866 179.1
[M]+ 332.13665142 181.6
[M]- 332.13774858 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