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]+ 255.13394 156.6
[M+Na]+ 277.11588 163.5
[M-H]- 253.11938 160.1
[M+NH4]+ 272.16048 173.2
[M+K]+ 293.08982 162.7
[M+H-H2O]+ 237.12392 149.5
[M+HCOO]- 299.12486 181.6
[M+CH3COO]- 313.14051 201.0
[M+Na-2H]- 275.10133 159.4
[M]+ 254.12611 160.5
[M]- 254.12721 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.