CID 983365

136565-35-0

Structural Information

Molecular Formula
C23H24ClNO5
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=C(O2)C3=CC=CC=C3Cl)C(=O)OCC)C)C
InChI
InChI=1S/C23H24ClNO5/c1-5-28-22(26)19-13(3)25-14(4)20(23(27)29-6-2)21(19)18-12-11-17(30-18)15-9-7-8-10-16(15)24/h7-12,21,25H,5-6H2,1-4H3
InChIKey
OMAFOSPPVBWRMB-UHFFFAOYSA-N
Compound name
diethyl 4-[5-(2-chlorophenyl)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

429.1343 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.14158 202.4
[M+Na]+ 452.12352 210.5
[M-H]- 428.12702 210.9
[M+NH4]+ 447.16812 211.9
[M+K]+ 468.09746 206.1
[M+H-H2O]+ 412.13156 194.2
[M+HCOO]- 474.13250 215.4
[M+CH3COO]- 488.14815 225.5
[M+Na-2H]- 450.10897 198.0
[M]+ 429.13375 209.7
[M]- 429.13485 209.7
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.