CID 139594559

Bifenazat metabolite

Structural Information

Molecular Formula
C21H20N2O3
SMILES
CC(CC1=C(C=CC(=C1)C2=CC=CC=C2)OC)OC(=O)C3=NC=CN=C3
InChI
InChI=1S/C21H20N2O3/c1-15(26-21(24)19-14-22-10-11-23-19)12-18-13-17(8-9-20(18)25-2)16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3
InChIKey
CLMDYPSCRNDGRG-UHFFFAOYSA-N
Compound name
1-(2-methoxy-5-phenylphenyl)propan-2-yl pyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

348.1474 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.15468 183.4
[M+Na]+ 371.13662 199.1
[M+NH4]+ 366.18122 190.2
[M+K]+ 387.11056 191.3
[M-H]- 347.14012 188.5
[M+Na-2H]- 369.12207 194.0
[M]+ 348.14685 187.2
[M]- 348.14795 187.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.