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]+ 440.20678 207.3
[M+Na]+ 462.18872 213.4
[M-H]- 438.19222 215.5
[M+NH4]+ 457.23332 215.2
[M+K]+ 478.16266 211.0
[M+H-H2O]+ 422.19676 198.0
[M+HCOO]- 484.19770 224.3
[M+CH3COO]- 498.21335 230.0
[M+Na-2H]- 460.17417 202.5
[M]+ 439.19895 214.3
[M]- 439.20005 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.