CID 45050960

853313-03-8

Structural Information

Molecular Formula
C25H29NO6
SMILES
CCOC1=CC=CC=C1C2=CC=C(O2)C3C(=C(NC(=C3C(=O)OCC)C)C)C(=O)OCC
InChI
InChI=1S/C25H29NO6/c1-6-29-18-12-10-9-11-17(18)19-13-14-20(32-19)23-21(24(27)30-7-2)15(4)26-16(5)22(23)25(28)31-8-3/h9-14,23,26H,6-8H2,1-5H3
InChIKey
JEGPTIBBYZHEQX-UHFFFAOYSA-N
Compound name
diethyl 4-[5-(2-ethoxyphenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.1995 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.206776 207.3
[M+Na]+ 462.188718 213.4
[M-H]- 438.192224 215.5
[M+NH4]+ 457.233323 215.2
[M+K]+ 478.162658 211.0
[M+H-H2O]+ 422.196760 198.0
[M+HCOO]- 484.197701 224.3
[M+CH3COO]- 498.213351 230.0
[M+Na-2H]- 460.174166 202.5
[M]+ 439.19895142 214.3
[M]- 439.20004858 214.3
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.