CID 988454

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

Structural Information

Molecular Formula
C28H29N3O4
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC)C)C
InChI
InChI=1S/C28H29N3O4/c1-5-34-27(32)23-18(3)29-19(4)24(28(33)35-6-2)25(23)22-17-31(21-15-11-8-12-16-21)30-26(22)20-13-9-7-10-14-20/h7-17,25,29H,5-6H2,1-4H3
InChIKey
KQKDWPWSRCCPOM-UHFFFAOYSA-N
Compound name
diethyl 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

471.21582 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.22310 217.2
[M+Na]+ 494.20504 223.0
[M-H]- 470.20854 225.1
[M+NH4]+ 489.24964 221.6
[M+K]+ 510.17898 216.7
[M+H-H2O]+ 454.21308 204.9
[M+HCOO]- 516.21402 232.0
[M+CH3COO]- 530.22967 235.6
[M+Na-2H]- 492.19049 212.1
[M]+ 471.21527 219.7
[M]- 471.21637 219.7
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.