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 198.2
[M+Na]+ 458.05325 208.4
[M-H]- 434.05675 206.7
[M+NH4]+ 453.09785 208.4
[M+K]+ 474.02719 203.5
[M+H-H2O]+ 418.06129 191.3
[M+HCOO]- 480.06223 206.9
[M+CH3COO]- 494.07788 224.9
[M+Na-2H]- 456.03870 193.7
[M]+ 435.06348 206.7
[M]- 435.06458 206.7
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.