CID 3052715

Urea, n-(2,3-dimethoxyphenethyl)-n-methyl-

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CN(CCC1=C(C(=CC=C1)OC)OC)C(=O)N
InChI
InChI=1S/C12H18N2O3/c1-14(12(13)15)8-7-9-5-4-6-10(16-2)11(9)17-3/h4-6H,7-8H2,1-3H3,(H2,13,15)
InChIKey
DOMBOKURWOUXLS-UHFFFAOYSA-N
Compound name
1-[2-(2,3-dimethoxyphenyl)ethyl]-1-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.13174 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.13902 154.5
[M+Na]+ 261.12096 164.2
[M+NH4]+ 256.16556 161.1
[M+K]+ 277.09490 159.6
[M-H]- 237.12446 156.4
[M+Na-2H]- 259.10641 159.2
[M]+ 238.13119 156.1
[M]- 238.13229 156.1
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.