CID 212825

Urea, (3,4,5-trimethoxyphenethyl)-

Structural Information

Molecular Formula
C12H18N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)CCNC(=O)N
InChI
InChI=1S/C12H18N2O4/c1-16-9-6-8(4-5-14-12(13)15)7-10(17-2)11(9)18-3/h6-7H,4-5H2,1-3H3,(H3,13,14,15)
InChIKey
NXWRJYGNDJUOAD-UHFFFAOYSA-N
Compound name
2-(3,4,5-trimethoxyphenyl)ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.12666 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.133936 156.6
[M+Na]+ 277.115878 163.5
[M-H]- 253.119384 160.1
[M+NH4]+ 272.160483 173.2
[M+K]+ 293.089818 162.7
[M+H-H2O]+ 237.123920 149.5
[M+HCOO]- 299.124861 181.6
[M+CH3COO]- 313.140511 201.0
[M+Na-2H]- 275.101326 159.4
[M]+ 254.12611142 160.5
[M]- 254.12720858 160.5
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.