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 195.9
[M+Na]+ 418.16250 202.4
[M-H]- 394.16600 204.2
[M+NH4]+ 413.20710 205.5
[M+K]+ 434.13644 199.5
[M+H-H2O]+ 378.17054 187.0
[M+HCOO]- 440.17148 213.5
[M+CH3COO]- 454.18713 220.7
[M+Na-2H]- 416.14795 192.6
[M]+ 395.17273 200.5
[M]- 395.17383 200.5
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.