CID 45050940

853311-36-1

Structural Information

Molecular Formula
C23H25NO6
SMILES
CC1=CC(=C(C=C1)OC)C2=CC=C(O2)C3C(=C(NC(=C3C(=O)OC)C)C)C(=O)OC
InChI
InChI=1S/C23H25NO6/c1-12-7-8-16(27-4)15(11-12)17-9-10-18(30-17)21-19(22(25)28-5)13(2)24-14(3)20(21)23(26)29-6/h7-11,21,24H,1-6H3
InChIKey
CJSXGYGSLNIXHD-UHFFFAOYSA-N
Compound name
dimethyl 4-[5-(2-methoxy-5-methylphenyl)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

411.16818 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.17546 198.8
[M+Na]+ 434.15740 211.5
[M+NH4]+ 429.20200 203.2
[M+K]+ 450.13134 208.8
[M-H]- 410.16090 202.9
[M+Na-2H]- 432.14285 202.8
[M]+ 411.16763 201.6
[M]- 411.16873 201.6
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.