CID 3059254

1-ethyl-3-methyl-5-(4-methoxyphenyl)biuret

Structural Information

Molecular Formula
C12H17N3O3
SMILES
CCN(C(=O)N)C(=O)NC1=C(C=C(C=C1)OC)C
InChI
InChI=1S/C12H17N3O3/c1-4-15(11(13)16)12(17)14-10-6-5-9(18-3)7-8(10)2/h5-7H,4H2,1-3H3,(H2,13,16)(H,14,17)
InChIKey
CYSIBEUTYZQTIG-UHFFFAOYSA-N
Compound name
1-carbamoyl-1-ethyl-3-(4-methoxy-2-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.127 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.134276 158.0
[M+Na]+ 274.116218 163.6
[M-H]- 250.119724 162.8
[M+NH4]+ 269.160823 174.8
[M+K]+ 290.090158 163.6
[M+H-H2O]+ 234.124260 150.5
[M+HCOO]- 296.125201 183.6
[M+CH3COO]- 310.140851 204.9
[M+Na-2H]- 272.101666 159.8
[M]+ 251.12645142 159.1
[M]- 251.12754858 159.1
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