CID 13986684

117210-77-2

Structural Information

Molecular Formula
C24H27NO6
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=C(O2)C3=CC=C(C=C3)OC)C(=O)OCC)C)C
InChI
InChI=1S/C24H27NO6/c1-6-29-23(26)20-14(3)25-15(4)21(24(27)30-7-2)22(20)19-13-12-18(31-19)16-8-10-17(28-5)11-9-16/h8-13,22,25H,6-7H2,1-5H3
InChIKey
RUASDMXDUZFRMQ-UHFFFAOYSA-N
Compound name
diethyl 4-[5-(4-methoxyphenyl)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

425.18384 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.191116 202.7
[M+Na]+ 448.173058 209.3
[M-H]- 424.176564 211.2
[M+NH4]+ 443.217663 211.2
[M+K]+ 464.146998 207.1
[M+H-H2O]+ 408.181100 193.7
[M+HCOO]- 470.182041 220.1
[M+CH3COO]- 484.197691 227.2
[M+Na-2H]- 446.158506 198.5
[M]+ 425.18329142 209.5
[M]- 425.18438858 209.5
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.