CID 4659762

Dimethyl 2,6-dimethyl-4-[3-(4-methylphenyl)-1-phenyl-1h-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate

Structural Information

Molecular Formula
C27H27N3O4
SMILES
CC1=CC=C(C=C1)C2=NN(C=C2C3C(=C(NC(=C3C(=O)OC)C)C)C(=O)OC)C4=CC=CC=C4
InChI
InChI=1S/C27H27N3O4/c1-16-11-13-19(14-12-16)25-21(15-30(29-25)20-9-7-6-8-10-20)24-22(26(31)33-4)17(2)28-18(3)23(24)27(32)34-5/h6-15,24,28H,1-5H3
InChIKey
VLSJFWSNFKHBTB-UHFFFAOYSA-N
Compound name
dimethyl 2,6-dimethyl-4-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

457.20016 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.20744 213.2
[M+Na]+ 480.18938 220.4
[M-H]- 456.19288 221.7
[M+NH4]+ 475.23398 218.5
[M+K]+ 496.16332 214.3
[M+H-H2O]+ 440.19742 201.4
[M+HCOO]- 502.19836 228.3
[M+CH3COO]- 516.21401 234.1
[M+Na-2H]- 478.17483 207.9
[M]+ 457.19961 215.9
[M]- 457.20071 215.9
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.