CID 988228

301305-99-7

Structural Information

Molecular Formula
C23H25NO5
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=C(O2)C3=CC=CC=C3)C(=O)OCC)C)C
InChI
InChI=1S/C23H25NO5/c1-5-27-22(25)19-14(3)24-15(4)20(23(26)28-6-2)21(19)18-13-12-17(29-18)16-10-8-7-9-11-16/h7-13,21,24H,5-6H2,1-4H3
InChIKey
VMRAAZYTCOSMOJ-UHFFFAOYSA-N
Compound name
diethyl 2,6-dimethyl-4-(5-phenylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.17328 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.18056 196.0
[M+Na]+ 418.16250 208.5
[M+NH4]+ 413.20710 201.0
[M+K]+ 434.13644 204.9
[M-H]- 394.16600 200.5
[M+Na-2H]- 416.14795 200.9
[M]+ 395.17273 198.9
[M]- 395.17383 198.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.