CID 308067

67616-05-1

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]+ 281.18596 168.2
[M+Na]+ 303.16790 177.3
[M+NH4]+ 298.21250 174.2
[M+K]+ 319.14184 171.3
[M-H]- 279.17140 169.8
[M+Na-2H]- 301.15335 172.3
[M]+ 280.17813 169.6
[M]- 280.17923 169.6
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.