CID 48263

66902-52-1

Structural Information

Molecular Formula
C21H19NO2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)OCCC3=CC=CC=N3
InChI
InChI=1S/C21H19NO2/c23-21(24-16-14-19-13-7-8-15-22-19)20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-13,15,20H,14,16H2
InChIKey
IIBUVPKHFWFIES-UHFFFAOYSA-N
Compound name
2-pyridin-2-ylethyl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.14157 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.148846 176.5
[M+Na]+ 340.130788 180.8
[M-H]- 316.134294 183.7
[M+NH4]+ 335.175393 188.0
[M+K]+ 356.104728 175.9
[M+H-H2O]+ 300.138830 165.8
[M+HCOO]- 362.139771 196.9
[M+CH3COO]- 376.155421 205.8
[M+Na-2H]- 338.116236 180.9
[M]+ 317.14102142 176.3
[M]- 317.14211858 176.3
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.