CID 135465533

2-[1-(3,4-dimethoxy-2-pyridyl)pyrazol-3-yl]-4-methoxy-phenol

Structural Information

Molecular Formula
C17H17N3O4
SMILES
COC1=CC(=C(C=C1)O)C2=NN(C=C2)C3=NC=CC(=C3OC)OC
InChI
InChI=1S/C17H17N3O4/c1-22-11-4-5-14(21)12(10-11)13-7-9-20(19-13)17-16(24-3)15(23-2)6-8-18-17/h4-10,21H,1-3H3
InChIKey
KXKSCZSSUISNHY-UHFFFAOYSA-N
Compound name
2-[1-(3,4-dimethoxypyridin-2-yl)pyrazol-3-yl]-4-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.12192 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.12920 174.9
[M+Na]+ 350.11114 184.8
[M-H]- 326.11464 180.8
[M+NH4]+ 345.15574 186.1
[M+K]+ 366.08508 180.8
[M+H-H2O]+ 310.11918 164.6
[M+HCOO]- 372.12012 195.5
[M+CH3COO]- 386.13577 206.6
[M+Na-2H]- 348.09659 177.0
[M]+ 327.12137 180.3
[M]- 327.12247 180.3
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.