CID 5734688
(e)-[2-(3-bromophenyl)-4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-(4-methoxy-2-methylphenyl)methanolate
Structural Information
- Molecular Formula
- C25H21BrN2O4
- SMILES
- CC1=C(C=CC(=C1)OC)/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC(=CC=C4)Br)/O
- InChI
- InChI=1S/C25H21BrN2O4/c1-15-11-19(32-2)8-9-20(15)23(29)21-22(17-6-3-7-18(26)12-17)28(25(31)24(21)30)14-16-5-4-10-27-13-16/h3-13,22,29H,14H2,1-2H3/b23-21+
- InChIKey
- QFVORKCJMPQSOY-XTQSDGFTSA-N
- Compound name
- (4E)-5-(3-bromophenyl)-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 493.07576 | 210.3 |
[M+Na]+ | 515.05770 | 219.9 |
[M-H]- | 491.06120 | 221.8 |
[M+NH4]+ | 510.10230 | 219.6 |
[M+K]+ | 531.03164 | 207.0 |
[M+H-H2O]+ | 475.06574 | 206.6 |
[M+HCOO]- | 537.06668 | 225.0 |
[M+CH3COO]- | 551.08233 | 231.9 |
[M+Na-2H]- | 513.04315 | 207.1 |
[M]+ | 492.06793 | 228.9 |
[M]- | 492.06903 | 228.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.