CID 1523979

372495-88-0

Structural Information

Molecular Formula
C21H19Cl2NO5
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl)C(=O)OC
InChI
InChI=1S/C21H19Cl2NO5/c1-10-17(20(25)27-3)19(18(11(2)24-10)21(26)28-4)16-8-7-15(29-16)12-5-6-13(22)14(23)9-12/h5-9,19,24H,1-4H3
InChIKey
ZYMSFAMMMKTLJR-UHFFFAOYSA-N
Compound name
dimethyl 4-[5-(3,4-dichlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

435.06403 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.07131 198.5
[M+Na]+ 458.05325 213.4
[M+NH4]+ 453.09785 204.2
[M+K]+ 474.02719 208.8
[M-H]- 434.05675 203.0
[M+Na-2H]- 456.03870 203.4
[M]+ 435.06348 202.4
[M]- 435.06458 202.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.