CID 15956884

Schembl6451938

Structural Information

Molecular Formula
C22H19N3O2
SMILES
COC1=C(C(=CC=C1)OCC2=CC=CC=C2)C3=NN(C=C3)C4=CC=CC=N4
InChI
InChI=1S/C22H19N3O2/c1-26-19-10-7-11-20(27-16-17-8-3-2-4-9-17)22(19)18-13-15-25(24-18)21-12-5-6-14-23-21/h2-15H,16H2,1H3
InChIKey
MZGVEURLJKNQSO-UHFFFAOYSA-N
Compound name
2-[3-(2-methoxy-6-phenylmethoxyphenyl)pyrazol-1-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

357.14774 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.15502 185.5
[M+Na]+ 380.13696 193.3
[M-H]- 356.14046 194.4
[M+NH4]+ 375.18156 194.8
[M+K]+ 396.11090 186.9
[M+H-H2O]+ 340.14500 172.8
[M+HCOO]- 402.14594 206.4
[M+CH3COO]- 416.16159 195.5
[M+Na-2H]- 378.12241 188.7
[M]+ 357.14719 187.7
[M]- 357.14829 187.7
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

patents stripe