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

3
Patents

209.08005 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.08733 145.4
[M+Na]+ 232.06927 153.2
[M+NH4]+ 227.11387 151.2
[M+K]+ 248.04321 150.6
[M-H]- 208.07277 146.6
[M+Na-2H]- 230.05472 149.6
[M]+ 209.07950 146.2
[M]- 209.08060 146.2
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