CID 3059255

1-ethyl-3-methyl-5-(3,4-dimethoxyphenyl)biuret

Structural Information

Molecular Formula
C13H19N3O4
SMILES
CCCNC(=O)N(C1=CC(=C(C=C1)OC)OC)C(=O)N
InChI
InChI=1S/C13H19N3O4/c1-4-7-15-13(18)16(12(14)17)9-5-6-10(19-2)11(8-9)20-3/h5-6,8H,4,7H2,1-3H3,(H2,14,17)(H,15,18)
InChIKey
MWCRAKFASCCORX-UHFFFAOYSA-N
Compound name
1-carbamoyl-1-(3,4-dimethoxyphenyl)-3-propylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

281.13754 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14482 165.4
[M+Na]+ 304.12676 172.7
[M+NH4]+ 299.17136 170.2
[M+K]+ 320.10070 169.6
[M-H]- 280.13026 166.5
[M+Na-2H]- 302.11221 168.5
[M]+ 281.13699 166.1
[M]- 281.13809 166.1
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

patents stripe