CID 988360

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

Structural Information

Molecular Formula
C26H24FN3O4
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)OC
InChI
InChI=1S/C26H24FN3O4/c1-15-21(25(31)33-3)23(22(16(2)28-15)26(32)34-4)20-14-30(19-8-6-5-7-9-19)29-24(20)17-10-12-18(27)13-11-17/h5-14,23,28H,1-4H3
InChIKey
LHYLXQROLNIXKT-UHFFFAOYSA-N
Compound name
dimethyl 4-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

461.17508 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.18236 212.1
[M+Na]+ 484.16430 219.8
[M-H]- 460.16780 219.4
[M+NH4]+ 479.20890 217.2
[M+K]+ 500.13824 213.4
[M+H-H2O]+ 444.17234 199.5
[M+HCOO]- 506.17328 226.5
[M+CH3COO]- 520.18893 233.8
[M+Na-2H]- 482.14975 206.7
[M]+ 461.17453 213.6
[M]- 461.17563 213.6
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.