CID 3073045
145510-85-6
Structural Information
- Molecular Formula
- C18H14BrNO4
- SMILES
- C1=CC=C(C=C1)N2C(C(=C(C2=O)O)CC(=O)O)C3=CC=C(C=C3)Br
- InChI
- InChI=1S/C18H14BrNO4/c19-12-8-6-11(7-9-12)16-14(10-15(21)22)17(23)18(24)20(16)13-4-2-1-3-5-13/h1-9,16,23H,10H2,(H,21,22)
- InChIKey
- IKQFQTHASNTFMG-UHFFFAOYSA-N
- Compound name
- 2-[2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 388.01790 | 181.4 |
[M+Na]+ | 409.99984 | 192.0 |
[M-H]- | 386.00334 | 190.3 |
[M+NH4]+ | 405.04444 | 195.8 |
[M+K]+ | 425.97378 | 179.5 |
[M+H-H2O]+ | 370.00788 | 179.7 |
[M+HCOO]- | 432.00882 | 198.4 |
[M+CH3COO]- | 446.02447 | 210.0 |
[M+Na-2H]- | 407.98529 | 181.5 |
[M]+ | 387.01007 | 199.6 |
[M]- | 387.01117 | 199.6 |
Literature stripe
Patent stripe
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