CID 15956891

2-[3-(2-benzyloxy-5-methoxy-phenyl)-pyrazol-1-yl]-3,4-dimethoxy-pyridine

Structural Information

Molecular Formula
C24H23N3O4
SMILES
COC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=NN(C=C3)C4=NC=CC(=C4OC)OC
InChI
InChI=1S/C24H23N3O4/c1-28-18-9-10-21(31-16-17-7-5-4-6-8-17)19(15-18)20-12-14-27(26-20)24-23(30-3)22(29-2)11-13-25-24/h4-15H,16H2,1-3H3
InChIKey
RAEWERJESYVQIP-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.16885 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.17613 200.9
[M+Na]+ 440.15807 209.0
[M-H]- 416.16157 210.3
[M+NH4]+ 435.20267 208.1
[M+K]+ 456.13201 203.8
[M+H-H2O]+ 400.16611 187.9
[M+HCOO]- 462.16705 221.3
[M+CH3COO]- 476.18270 210.3
[M+Na-2H]- 438.14352 201.7
[M]+ 417.16830 207.2
[M]- 417.16940 207.2
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.