CID 3059256

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

Structural Information

Molecular Formula
C14H21N3O5
SMILES
CCN(C(=O)N)C(=O)NC1=CC(=C(C(=C1C)OC)OC)OC
InChI
InChI=1S/C14H21N3O5/c1-6-17(13(15)18)14(19)16-9-7-10(20-3)12(22-5)11(21-4)8(9)2/h7H,6H2,1-5H3,(H2,15,18)(H,16,19)
InChIKey
MLRQBYXAPUEZLX-UHFFFAOYSA-N
Compound name
1-carbamoyl-1-ethyl-3-(3,4,5-trimethoxy-2-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

311.14813 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15541 171.6
[M+Na]+ 334.13735 177.8
[M-H]- 310.14085 176.7
[M+NH4]+ 329.18195 186.3
[M+K]+ 350.11129 178.8
[M+H-H2O]+ 294.14539 163.7
[M+HCOO]- 356.14633 196.8
[M+CH3COO]- 370.16198 218.1
[M+Na-2H]- 332.12280 171.2
[M]+ 311.14758 177.0
[M]- 311.14868 177.0
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