CID 45050973

853313-92-5

Structural Information

Molecular Formula
C24H26ClNO6
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=C(O2)C3=C(C=CC(=C3)Cl)OC)C(=O)OCC)C)C
InChI
InChI=1S/C24H26ClNO6/c1-6-30-23(27)20-13(3)26-14(4)21(24(28)31-7-2)22(20)19-11-10-18(32-19)16-12-15(25)8-9-17(16)29-5/h8-12,22,26H,6-7H2,1-5H3
InChIKey
KTXDCSRJWVYXEC-UHFFFAOYSA-N
Compound name
diethyl 4-[5-(5-chloro-2-methoxyphenyl)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

459.14487 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.15215 208.8
[M+Na]+ 482.13409 217.0
[M-H]- 458.13759 217.6
[M+NH4]+ 477.17869 217.2
[M+K]+ 498.10803 213.4
[M+H-H2O]+ 442.14213 200.6
[M+HCOO]- 504.14307 221.6
[M+CH3COO]- 518.15872 231.9
[M+Na-2H]- 480.11954 203.6
[M]+ 459.14432 218.4
[M]- 459.14542 218.4
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.