CID 988231

301306-01-4

Structural Information

Molecular Formula
C23H23Cl2NO5
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl)C(=O)OCC)C)C
InChI
InChI=1S/C23H23Cl2NO5/c1-5-29-22(27)19-12(3)26-13(4)20(23(28)30-6-2)21(19)18-10-9-17(31-18)14-7-8-15(24)16(25)11-14/h7-11,21,26H,5-6H2,1-4H3
InChIKey
BKNUVXKXOOCEGP-UHFFFAOYSA-N
Compound name
diethyl 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

0
References

0
Patents

463.09534 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.10262 207.4
[M+Na]+ 486.08456 216.7
[M-H]- 462.08806 215.5
[M+NH4]+ 481.12916 216.4
[M+K]+ 502.05850 211.4
[M+H-H2O]+ 446.09260 200.0
[M+HCOO]- 508.09354 215.4
[M+CH3COO]- 522.10919 230.5
[M+Na-2H]- 484.07001 201.8
[M]+ 463.09479 216.5
[M]- 463.09589 216.5
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.