CID 3059277

1-acetyl-3-methyl-5-phenylbiuret

Structural Information

Molecular Formula
C11H13N3O3
SMILES
CC(=O)NC(=O)N(C)C(=O)NC1=CC=CC=C1
InChI
InChI=1S/C11H13N3O3/c1-8(15)12-10(16)14(2)11(17)13-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,17)(H,12,15,16)
InChIKey
OTQKGHUJKPAXCI-UHFFFAOYSA-N
Compound name
N-[methyl(phenylcarbamoyl)carbamoyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

235.09569 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10297 153.5
[M+Na]+ 258.08491 161.0
[M+NH4]+ 253.12951 159.0
[M+K]+ 274.05885 157.9
[M-H]- 234.08841 154.8
[M+Na-2H]- 256.07036 158.0
[M]+ 235.09514 154.3
[M]- 235.09624 154.3
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