CID 3038986

F 1195

Structural Information

Molecular Formula
C22H21NO3
SMILES
CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC3=CC=CC=N3
InChI
InChI=1S/C22H21NO3/c1-2-26-22(18-11-5-3-6-12-18,19-13-7-4-8-14-19)21(24)25-17-20-15-9-10-16-23-20/h3-16H,2,17H2,1H3
InChIKey
UJGXOCVNUGYUCC-UHFFFAOYSA-N
Compound name
pyridin-2-ylmethyl 2-ethoxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.15213 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.15941 184.5
[M+Na]+ 370.14135 199.4
[M+NH4]+ 365.18595 191.8
[M+K]+ 386.11529 191.1
[M-H]- 346.14485 189.8
[M+Na-2H]- 368.12680 196.0
[M]+ 347.15158 188.3
[M]- 347.15268 188.3
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.