CID 3059293

1-hydroxy-3-methyl-5-phenylbiuret

Structural Information

Molecular Formula
C9H11N3O3
SMILES
CC1=CC=CC=C1NC(=O)N(C(=O)N)O
InChI
InChI=1S/C9H11N3O3/c1-6-4-2-3-5-7(6)11-9(14)12(15)8(10)13/h2-5,15H,1H3,(H2,10,13)(H,11,14)
InChIKey
VTICAYCFLHQGGA-UHFFFAOYSA-N
Compound name
1-carbamoyl-1-hydroxy-3-(2-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.08005 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.087326 144.6
[M+Na]+ 232.069268 150.1
[M-H]- 208.072774 148.1
[M+NH4]+ 227.113873 162.0
[M+K]+ 248.043208 149.9
[M+H-H2O]+ 192.077310 137.6
[M+HCOO]- 254.078251 169.6
[M+CH3COO]- 268.093901 192.2
[M+Na-2H]- 230.054716 148.1
[M]+ 209.07950142 142.3
[M]- 209.08059858 142.3
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