CID 5303089
869947-94-4
Structural Information
- Molecular Formula
- C11H10N2O4
- SMILES
- CN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)O
- InChI
- InChI=1S/C11H10N2O4/c1-12-10(16)7-4-2-3-5-8(7)13(11(12)17)6-9(14)15/h2-5H,6H2,1H3,(H,14,15)
- InChIKey
- CUELILSJQNHUOS-UHFFFAOYSA-N
- Compound name
- 2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 235.07134 | 146.1 |
[M+Na]+ | 257.05328 | 157.6 |
[M-H]- | 233.05678 | 147.8 |
[M+NH4]+ | 252.09788 | 162.1 |
[M+K]+ | 273.02722 | 154.2 |
[M+H-H2O]+ | 217.06132 | 138.9 |
[M+HCOO]- | 279.06226 | 166.0 |
[M+CH3COO]- | 293.07791 | 189.4 |
[M+Na-2H]- | 255.03873 | 152.1 |
[M]+ | 234.06351 | 149.3 |
[M]- | 234.06461 | 149.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.