CID 982721

Dimethyl 4-[5-(4-chlorophenyl)-2-furyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Structural Information

Molecular Formula
C21H20ClNO5
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(O2)C3=CC=C(C=C3)Cl)C(=O)OC
InChI
InChI=1S/C21H20ClNO5/c1-11-17(20(24)26-3)19(18(12(2)23-11)21(25)27-4)16-10-9-15(28-16)13-5-7-14(22)8-6-13/h5-10,19,23H,1-4H3
InChIKey
DTPWVIDTDNVYPC-UHFFFAOYSA-N
Compound name
dimethyl 4-[5-(4-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

401.103 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.11028 193.1
[M+Na]+ 424.09222 202.2
[M-H]- 400.09572 202.0
[M+NH4]+ 419.13682 203.8
[M+K]+ 440.06616 198.2
[M+H-H2O]+ 384.10026 185.4
[M+HCOO]- 446.10120 206.8
[M+CH3COO]- 460.11685 219.7
[M+Na-2H]- 422.07767 189.8
[M]+ 401.10245 199.8
[M]- 401.10355 199.8
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.