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 157.5
[M+Na]+ 277.11588 166.9
[M+NH4]+ 272.16048 163.2
[M+K]+ 293.08982 162.5
[M-H]- 253.11938 158.7
[M+Na-2H]- 275.10133 161.3
[M]+ 254.12611 158.7
[M]- 254.12721 158.7
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.