CID 39532

2-pyridylmethyl methoxydiphenylacetate hydrochloride

Structural Information

Molecular Formula
C21H19NO3
SMILES
COC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC3=CC=CC=N3
InChI
InChI=1S/C21H19NO3/c1-24-21(17-10-4-2-5-11-17,18-12-6-3-7-13-18)20(23)25-16-19-14-8-9-15-22-19/h2-15H,16H2,1H3
InChIKey
XZOVVIHQKGFBDJ-UHFFFAOYSA-N
Compound name
pyridin-2-ylmethyl 2-methoxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1365 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.14378 180.0
[M+Na]+ 356.12572 195.1
[M+NH4]+ 351.17032 187.5
[M+K]+ 372.09966 187.1
[M-H]- 332.12922 185.4
[M+Na-2H]- 354.11117 191.8
[M]+ 333.13595 183.9
[M]- 333.13705 183.9
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.