CID 15956889

2-[[3-(2,5-dimethoxyphenyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethyl-pyridine

Structural Information

Molecular Formula
C20H23N3O3
SMILES
CC1=CN=C(C(=C1OC)C)CN2C=CC(=N2)C3=C(C=CC(=C3)OC)OC
InChI
InChI=1S/C20H23N3O3/c1-13-11-21-18(14(2)20(13)26-5)12-23-9-8-17(22-23)16-10-15(24-3)6-7-19(16)25-4/h6-11H,12H2,1-5H3
InChIKey
IMKHRXHNPGDONT-UHFFFAOYSA-N
Compound name
2-[[3-(2,5-dimethoxyphenyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.17395 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.18123 185.7
[M+Na]+ 376.16317 195.9
[M-H]- 352.16667 192.7
[M+NH4]+ 371.20777 196.9
[M+K]+ 392.13711 191.3
[M+H-H2O]+ 336.17121 174.9
[M+HCOO]- 398.17215 206.5
[M+CH3COO]- 412.18780 216.8
[M+Na-2H]- 374.14862 185.7
[M]+ 353.17340 192.9
[M]- 353.17450 192.9
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.