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
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 252.09788 | 155.3 |
[M+Na]+ | 274.07982 | 159.0 |
[M-H]- | 250.08332 | 158.7 |
[M+NH4]+ | 269.12442 | 170.8 |
[M+K]+ | 290.05376 | 159.2 |
[M+H-H2O]+ | 234.08786 | 147.6 |
[M+HCOO]- | 296.08880 | 179.8 |
[M+CH3COO]- | 310.10445 | 199.3 |
[M+Na-2H]- | 272.06527 | 158.5 |
[M]+ | 251.09005 | 154.3 |
[M]- | 251.09115 | 154.3 |
Literature stripe
No literature data available for this compound.