CID 15956921

Schembl6449630

Structural Information

Molecular Formula
C23H21N3O2
SMILES
COC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=NN(C=C3)CC4=CC=CC=N4
InChI
InChI=1S/C23H21N3O2/c1-27-20-10-11-23(28-17-18-7-3-2-4-8-18)21(15-20)22-12-14-26(25-22)16-19-9-5-6-13-24-19/h2-15H,16-17H2,1H3
InChIKey
HLBVULUEJCZEDQ-UHFFFAOYSA-N
Compound name
2-[[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]methyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

371.1634 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.17068 189.8
[M+Na]+ 394.15262 197.2
[M-H]- 370.15612 198.5
[M+NH4]+ 389.19722 198.6
[M+K]+ 410.12656 190.6
[M+H-H2O]+ 354.16066 177.0
[M+HCOO]- 416.16160 210.4
[M+CH3COO]- 430.17725 199.4
[M+Na-2H]- 392.13807 192.5
[M]+ 371.16285 192.3
[M]- 371.16395 192.3
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

patents stripe