CID 4148937
421580-78-1
Structural Information
- Molecular Formula
- C25H28N2O9
- SMILES
- CC1=C(C(C(=C(N1)C)C(=O)OCCOC)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])C(=O)OCCOC
- InChI
- InChI=1S/C25H28N2O9/c1-15-21(24(28)34-13-11-32-3)23(22(16(2)26-15)25(29)35-14-12-33-4)20-10-9-19(36-20)17-7-5-6-8-18(17)27(30)31/h5-10,23,26H,11-14H2,1-4H3
- InChIKey
- WRXSPTNDHOUBHC-UHFFFAOYSA-N
- Compound name
- bis(2-methoxyethyl) 2,6-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-1,4-dihydropyridine-3,5-dicarboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 501.18675 | 219.3 |
[M+Na]+ | 523.16869 | 222.0 |
[M-H]- | 499.17219 | 227.1 |
[M+NH4]+ | 518.21329 | 222.9 |
[M+K]+ | 539.14263 | 217.0 |
[M+H-H2O]+ | 483.17673 | 213.5 |
[M+HCOO]- | 545.17767 | 236.9 |
[M+CH3COO]- | 559.19332 | 233.3 |
[M+Na-2H]- | 521.15414 | 217.8 |
[M]+ | 500.17892 | 225.5 |
[M]- | 500.18002 | 225.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.