CID 988504

Dimethyl 4-(1,3-diphenylpyrazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Structural Information

Molecular Formula
C26H25N3O4
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC
InChI
InChI=1S/C26H25N3O4/c1-16-21(25(30)32-3)23(22(17(2)27-16)26(31)33-4)20-15-29(19-13-9-6-10-14-19)28-24(20)18-11-7-5-8-12-18/h5-15,23,27H,1-4H3
InChIKey
DZXMKIRZVSQDHT-UHFFFAOYSA-N
Compound name
dimethyl 4-(1,3-diphenylpyrazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

443.1845 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.19178 208.6
[M+Na]+ 466.17372 215.4
[M-H]- 442.17722 217.0
[M+NH4]+ 461.21832 214.2
[M+K]+ 482.14766 209.4
[M+H-H2O]+ 426.18176 196.7
[M+HCOO]- 488.18270 224.1
[M+CH3COO]- 502.19835 229.9
[M+Na-2H]- 464.15917 204.5
[M]+ 443.18395 210.6
[M]- 443.18505 210.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.