CID 48263

Diphenylacetic acid 2-(2-pyridyl)ethyl ester hydrochloride

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]+ 318.14885 176.5
[M+Na]+ 340.13079 180.8
[M-H]- 316.13429 183.7
[M+NH4]+ 335.17539 188.0
[M+K]+ 356.10473 175.9
[M+H-H2O]+ 300.13883 165.8
[M+HCOO]- 362.13977 196.9
[M+CH3COO]- 376.15542 205.8
[M+Na-2H]- 338.11624 180.9
[M]+ 317.14102 176.3
[M]- 317.14212 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.