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 184.4
[M+Na]+ 370.14135 188.8
[M-H]- 346.14485 191.7
[M+NH4]+ 365.18595 194.7
[M+K]+ 386.11529 184.4
[M+H-H2O]+ 330.14939 173.7
[M+HCOO]- 392.15033 204.0
[M+CH3COO]- 406.16598 210.3
[M+Na-2H]- 368.12680 190.2
[M]+ 347.15158 186.0
[M]- 347.15268 186.0
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.