CID 983356

Dimethyl 4-[5-(2-chlorophenyl)furan-2-yl]-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=CC=C3Cl)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)13-7-5-6-8-14(13)22/h5-10,19,23H,1-4H3
InChIKey
DZBZUXAVOJYCIR-UHFFFAOYSA-N
Compound name
dimethyl 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

401.103 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.110276 193.1
[M+Na]+ 424.092218 202.2
[M-H]- 400.095724 202.0
[M+NH4]+ 419.136823 203.8
[M+K]+ 440.066158 198.2
[M+H-H2O]+ 384.100260 185.4
[M+HCOO]- 446.101201 206.8
[M+CH3COO]- 460.116851 219.7
[M+Na-2H]- 422.077666 189.8
[M]+ 401.10245142 199.8
[M]- 401.10354858 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.