CID 45050968
853313-71-0
Structural Information
- Molecular Formula
- C22H22ClNO5
- SMILES
- CC1=C(C=C(C=C1)C2=CC=C(O2)C3C(=C(NC(=C3C(=O)OC)C)C)C(=O)OC)Cl
- InChI
- InChI=1S/C22H22ClNO5/c1-11-6-7-14(10-15(11)23)16-8-9-17(29-16)20-18(21(25)27-4)12(2)24-13(3)19(20)22(26)28-5/h6-10,20,24H,1-5H3
- InChIKey
- TWZQPKBGZKXZST-UHFFFAOYSA-N
- Compound name
- dimethyl 4-[5-(3-chloro-4-methylphenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 416.12593 | 197.3 |
[M+Na]+ | 438.10787 | 206.8 |
[M-H]- | 414.11137 | 206.5 |
[M+NH4]+ | 433.15247 | 207.7 |
[M+K]+ | 454.08181 | 202.7 |
[M+H-H2O]+ | 398.11591 | 189.7 |
[M+HCOO]- | 460.11685 | 210.7 |
[M+CH3COO]- | 474.13250 | 224.0 |
[M+Na-2H]- | 436.09332 | 192.9 |
[M]+ | 415.11810 | 204.8 |
[M]- | 415.11920 | 204.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.