CID 3059292

1-ethyl-5-(4-methoxyphenyl)biuret

Structural Information

Molecular Formula
C11H15N3O3
SMILES
CCN(C(=O)N)C(=O)NC1=CC=C(C=C1)OC
InChI
InChI=1S/C11H15N3O3/c1-3-14(10(12)15)11(16)13-8-4-6-9(17-2)7-5-8/h4-7H,3H2,1-2H3,(H2,12,15)(H,13,16)
InChIKey
XEZBVLLSHWHPGA-UHFFFAOYSA-N
Compound name
1-carbamoyl-1-ethyl-3-(4-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

237.11134 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.11862 153.5
[M+Na]+ 260.10056 158.5
[M-H]- 236.10406 158.1
[M+NH4]+ 255.14516 170.5
[M+K]+ 276.07450 158.7
[M+H-H2O]+ 220.10860 145.9
[M+HCOO]- 282.10954 179.4
[M+CH3COO]- 296.12519 200.6
[M+Na-2H]- 258.08601 156.5
[M]+ 237.11079 153.8
[M]- 237.11189 153.8
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