CID 3062291
Brn 4561114
Structural Information
- Molecular Formula
- C19H16ClNO4
- SMILES
- CCOC1=C(N=C(O1)C2=CC=C(C=C2)CC(=O)O)C3=CC=C(C=C3)Cl
- InChI
- InChI=1S/C19H16ClNO4/c1-2-24-19-17(13-7-9-15(20)10-8-13)21-18(25-19)14-5-3-12(4-6-14)11-16(22)23/h3-10H,2,11H2,1H3,(H,22,23)
- InChIKey
- PSSWJQOFBPYECU-UHFFFAOYSA-N
- Compound name
- 2-[4-[4-(4-chlorophenyl)-5-ethoxy-1,3-oxazol-2-yl]phenyl]acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 358.08406 | 181.7 |
[M+Na]+ | 380.06600 | 190.9 |
[M-H]- | 356.06950 | 190.2 |
[M+NH4]+ | 375.11060 | 193.7 |
[M+K]+ | 396.03994 | 186.2 |
[M+H-H2O]+ | 340.07404 | 173.4 |
[M+HCOO]- | 402.07498 | 198.0 |
[M+CH3COO]- | 416.09063 | 209.6 |
[M+Na-2H]- | 378.05145 | 182.5 |
[M]+ | 357.07623 | 188.1 |
[M]- | 357.07733 | 188.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.