CID 139202520
2-(5-bromo-2-oxo-3-(2-oxo-2-phenylethyl)indolin-3-yl)malononitrile
Structural Information
- Molecular Formula
- C19H12BrN3O2
- SMILES
- C1=CC=C(C=C1)C(=O)C[C@]2(C3=C(C=CC(=C3)Br)NC2=O)C(C#N)C#N
- InChI
- InChI=1S/C19H12BrN3O2/c20-14-6-7-16-15(8-14)19(18(25)23-16,13(10-21)11-22)9-17(24)12-4-2-1-3-5-12/h1-8,13H,9H2,(H,23,25)/t19-/m1/s1
- InChIKey
- OKOFHDNADSOQFJ-LJQANCHMSA-N
- Compound name
- 2-[(3R)-5-bromo-2-oxo-3-phenacyl-1H-indol-3-yl]propanedinitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 394.01858 | 189.9 |
[M+Na]+ | 416.00052 | 202.9 |
[M-H]- | 392.00402 | 192.5 |
[M+NH4]+ | 411.04512 | 200.9 |
[M+K]+ | 431.97446 | 187.3 |
[M+H-H2O]+ | 376.00856 | 178.0 |
[M+HCOO]- | 438.00950 | 200.4 |
[M+CH3COO]- | 452.02515 | 195.9 |
[M+Na-2H]- | 413.98597 | 189.0 |
[M]+ | 393.01075 | 193.1 |
[M]- | 393.01185 | 193.1 |
Literature stripe
Patent stripe
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