CID 47002335
4-[4-(2-hydroxyethyl)-3-(methoxycarbonyl)-5-oxo-2,5-dihydro-1h-pyrazol-1-yl]benzoic acid
Structural Information
- Molecular Formula
- C14H14N2O6
- SMILES
- COC(=O)C1=C(C(=O)N(N1)C2=CC=C(C=C2)C(=O)O)CCO
- InChI
- InChI=1S/C14H14N2O6/c1-22-14(21)11-10(6-7-17)12(18)16(15-11)9-4-2-8(3-5-9)13(19)20/h2-5,15,17H,6-7H2,1H3,(H,19,20)
- InChIKey
- QIEOWDZGBORLJH-UHFFFAOYSA-N
- Compound name
- 4-[4-(2-hydroxyethyl)-5-methoxycarbonyl-3-oxo-1H-pyrazol-2-yl]benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 307.09245 | 165.4 |
[M+Na]+ | 329.07439 | 173.6 |
[M-H]- | 305.07789 | 166.7 |
[M+NH4]+ | 324.11899 | 177.3 |
[M+K]+ | 345.04833 | 170.1 |
[M+H-H2O]+ | 289.08243 | 157.8 |
[M+HCOO]- | 351.08337 | 183.1 |
[M+CH3COO]- | 365.09902 | 196.6 |
[M+Na-2H]- | 327.05984 | 164.8 |
[M]+ | 306.08462 | 167.4 |
[M]- | 306.08572 | 167.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.