CID 45051506
Diisopropyl 3-(4-chlorobenzoyl)-7-(4-pyridinyl)-1,2-indolizinedicarboxylate
Structural Information
- Molecular Formula
- C28H25ClN2O5
- SMILES
- CC(C)OC(=O)C1=C2C=C(C=CN2C(=C1C(=O)OC(C)C)C(=O)C3=CC=C(C=C3)Cl)C4=CC=NC=C4
- InChI
- InChI=1S/C28H25ClN2O5/c1-16(2)35-27(33)23-22-15-20(18-9-12-30-13-10-18)11-14-31(22)25(24(23)28(34)36-17(3)4)26(32)19-5-7-21(29)8-6-19/h5-17H,1-4H3
- InChIKey
- AOKIQGYAABXNMT-UHFFFAOYSA-N
- Compound name
- dipropan-2-yl 3-(4-chlorobenzoyl)-7-pyridin-4-ylindolizine-1,2-dicarboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 505.15248 | 218.2 |
[M+Na]+ | 527.13442 | 225.3 |
[M-H]- | 503.13792 | 226.9 |
[M+NH4]+ | 522.17902 | 225.1 |
[M+K]+ | 543.10836 | 220.5 |
[M+H-H2O]+ | 487.14246 | 208.0 |
[M+HCOO]- | 549.14340 | 230.0 |
[M+CH3COO]- | 563.15905 | 242.2 |
[M+Na-2H]- | 525.11987 | 213.6 |
[M]+ | 504.14465 | 227.5 |
[M]- | 504.14575 | 227.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.