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]+ 388.16558 193.3
[M+Na]+ 410.14752 201.3
[M-H]- 386.15102 202.5
[M+NH4]+ 405.19212 201.6
[M+K]+ 426.12146 195.5
[M+H-H2O]+ 370.15556 180.5
[M+HCOO]- 432.15650 214.0
[M+CH3COO]- 446.17215 203.0
[M+Na-2H]- 408.13297 195.3
[M]+ 387.15775 197.6
[M]- 387.15885 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