CID 214522

Anc 39

Structural Information

Molecular Formula
C20H17NO3
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)OCC3=CC=CC=N3)O
InChI
InChI=1S/C20H17NO3/c22-19(24-15-18-13-7-8-14-21-18)20(23,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,23H,15H2
InChIKey
JLNWMZBSQCKPST-UHFFFAOYSA-N
Compound name
pyridin-2-ylmethyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.12085 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.12813 176.1
[M+Na]+ 342.11007 190.9
[M+NH4]+ 337.15467 183.4
[M+K]+ 358.08401 183.3
[M-H]- 318.11357 181.0
[M+Na-2H]- 340.09552 187.5
[M]+ 319.12030 179.7
[M]- 319.12140 179.7
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

No patent data available for this compound.