CID 11349713

Schembl6448429

Structural Information

Molecular Formula
C23H21N3O3
SMILES
COC1=C(C=C(C(=C1)C2=NN(C=C2)C3=CC=CC=N3)OCC4=CC=CC=C4)OC
InChI
InChI=1S/C23H21N3O3/c1-27-21-14-18(19-11-13-26(25-19)23-10-6-7-12-24-23)20(15-22(21)28-2)29-16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3
InChIKey
NASKBMNTOVZBEY-UHFFFAOYSA-N
Compound name
2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

387.1583 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.165576 193.3
[M+Na]+ 410.147518 201.3
[M-H]- 386.151024 202.5
[M+NH4]+ 405.192123 201.6
[M+K]+ 426.121458 195.5
[M+H-H2O]+ 370.155560 180.5
[M+HCOO]- 432.156501 214.0
[M+CH3COO]- 446.172151 203.0
[M+Na-2H]- 408.132966 195.3
[M]+ 387.15775142 197.6
[M]- 387.15884858 197.6
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