CID 3052714

Urea, (2,5-dimethoxyphenethyl)-

Structural Information

Molecular Formula
C11H16N2O3
SMILES
COC1=CC(=C(C=C1)OC)CCNC(=O)N
InChI
InChI=1S/C11H16N2O3/c1-15-9-3-4-10(16-2)8(7-9)5-6-13-11(12)14/h3-4,7H,5-6H2,1-2H3,(H3,12,13,14)
InChIKey
ZFLFMVQVVHIIFD-UHFFFAOYSA-N
Compound name
2-(2,5-dimethoxyphenyl)ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.11609 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.123366 149.6
[M+Na]+ 247.105308 156.1
[M-H]- 223.108814 152.9
[M+NH4]+ 242.149913 167.2
[M+K]+ 263.079248 154.9
[M+H-H2O]+ 207.113350 142.7
[M+HCOO]- 269.114291 174.7
[M+CH3COO]- 283.129941 194.5
[M+Na-2H]- 245.090756 153.6
[M]+ 224.11554142 151.3
[M]- 224.11663858 151.3
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.