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
4
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 183.8
[M+Na]+ 371.13662 189.7
[M-H]- 347.14012 190.4
[M+NH4]+ 366.18122 193.1
[M+K]+ 387.11056 185.3
[M+H-H2O]+ 331.14466 172.2
[M+HCOO]- 393.14560 202.9
[M+CH3COO]- 407.16125 212.8
[M+Na-2H]- 369.12207 186.9
[M]+ 348.14685 186.2
[M]- 348.14795 186.2
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.