CID 308067

1-butyl-3-(3,4-dimethoxyphenethyl)urea

Structural Information

Molecular Formula
C15H24N2O3
SMILES
CCCCNC(=O)NCCC1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C15H24N2O3/c1-4-5-9-16-15(18)17-10-8-12-6-7-13(19-2)14(11-12)20-3/h6-7,11H,4-5,8-10H2,1-3H3,(H2,16,17,18)
InChIKey
YAKQAOSIMCLQBM-UHFFFAOYSA-N
Compound name
1-butyl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.17868 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.185956 167.7
[M+Na]+ 303.167898 172.5
[M-H]- 279.171404 170.8
[M+NH4]+ 298.212503 183.4
[M+K]+ 319.141838 170.7
[M+H-H2O]+ 263.175940 160.0
[M+HCOO]- 325.176881 192.1
[M+CH3COO]- 339.192531 206.5
[M+Na-2H]- 301.153346 170.6
[M]+ 280.17813142 171.8
[M]- 280.17922858 171.8
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.