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]+ 281.18596 167.7
[M+Na]+ 303.16790 172.5
[M-H]- 279.17140 170.8
[M+NH4]+ 298.21250 183.4
[M+K]+ 319.14184 170.7
[M+H-H2O]+ 263.17594 160.0
[M+HCOO]- 325.17688 192.1
[M+CH3COO]- 339.19253 206.5
[M+Na-2H]- 301.15335 170.6
[M]+ 280.17813 171.8
[M]- 280.17923 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.