CID 3355520

438458-48-1

Structural Information

Molecular Formula
C31H35N3O4
SMILES
CC1=CC=C(C=C1)C2=NN(C=C2C3C(=C(NC(=C3C(=O)OC(C)C)C)C)C(=O)OC(C)C)C4=CC=CC=C4
InChI
InChI=1S/C31H35N3O4/c1-18(2)37-30(35)26-21(6)32-22(7)27(31(36)38-19(3)4)28(26)25-17-34(24-11-9-8-10-12-24)33-29(25)23-15-13-20(5)14-16-23/h8-19,28,32H,1-7H3
InChIKey
WKQXTPGXRGEXDT-UHFFFAOYSA-N
Compound name
dipropan-2-yl 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

0
References

0
Patents

513.26276 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.27004 228.5
[M+Na]+ 536.25198 241.8
[M+NH4]+ 531.29658 232.0
[M+K]+ 552.22592 237.8
[M-H]- 512.25548 233.0
[M+Na-2H]- 534.23743 234.5
[M]+ 513.26221 231.5
[M]- 513.26331 231.5
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.