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 165.0
[M+Na]+ 304.12676 170.0
[M-H]- 280.13026 169.5
[M+NH4]+ 299.17136 180.5
[M+K]+ 320.10070 170.4
[M+H-H2O]+ 264.13480 157.0
[M+HCOO]- 326.13574 190.4
[M+CH3COO]- 340.15139 210.1
[M+Na-2H]- 302.11221 166.4
[M]+ 281.13699 167.8
[M]- 281.13809 167.8
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

patents stripe