CID 45050976

853314-02-0

Structural Information

Molecular Formula
C22H22ClNO6
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(O2)C3=C(C=CC(=C3)Cl)OC)C(=O)OC
InChI
InChI=1S/C22H22ClNO6/c1-11-18(21(25)28-4)20(19(12(2)24-11)22(26)29-5)17-9-8-16(30-17)14-10-13(23)6-7-15(14)27-3/h6-10,20,24H,1-5H3
InChIKey
DLKUELBCPKTAIX-UHFFFAOYSA-N
Compound name
dimethyl 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

431.11356 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.12084 200.1
[M+Na]+ 454.10278 213.8
[M+NH4]+ 449.14738 204.9
[M+K]+ 470.07672 210.4
[M-H]- 430.10628 204.2
[M+Na-2H]- 452.08823 204.4
[M]+ 431.11301 203.4
[M]- 431.11411 203.4
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.