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 175.1
[M+Na]+ 342.11007 180.0
[M-H]- 318.11357 181.5
[M+NH4]+ 337.15467 186.0
[M+K]+ 358.08401 175.2
[M+H-H2O]+ 302.11811 165.3
[M+HCOO]- 364.11905 194.0
[M+CH3COO]- 378.13470 202.1
[M+Na-2H]- 340.09552 181.7
[M]+ 319.12030 174.3
[M]- 319.12140 174.3
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

No patent data available for this compound.