CID 3059276

1-(acetic acid)-3-methyl-5-phenylbiuret hydrate

Structural Information

Molecular Formula
C11H13N3O4
SMILES
CN(C(=O)NCC(=O)O)C(=O)NC1=CC=CC=C1
InChI
InChI=1S/C11H13N3O4/c1-14(10(17)12-7-9(15)16)11(18)13-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,17)(H,13,18)(H,15,16)
InChIKey
GWDFIFFTDCVWPL-UHFFFAOYSA-N
Compound name
2-[[methyl(phenylcarbamoyl)carbamoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

251.0906 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.09788 156.2
[M+Na]+ 274.07982 162.7
[M+NH4]+ 269.12442 160.8
[M+K]+ 290.05376 160.5
[M-H]- 250.08332 156.4
[M+Na-2H]- 272.06527 159.7
[M]+ 251.09005 156.4
[M]- 251.09115 156.4
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