CID 3038990

F 1197

Structural Information

Molecular Formula
C23H21NO3
SMILES
C=CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC3=CC=CC=N3
InChI
InChI=1S/C23H21NO3/c1-2-17-27-23(19-11-5-3-6-12-19,20-13-7-4-8-14-20)22(25)26-18-21-15-9-10-16-24-21/h2-16H,1,17-18H2
InChIKey
WPSSBGLDRXQLEL-UHFFFAOYSA-N
Compound name
pyridin-2-ylmethyl 2,2-diphenyl-2-prop-2-enoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.15213 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.15941 187.9
[M+Na]+ 382.14135 202.6
[M+NH4]+ 377.18595 194.8
[M+K]+ 398.11529 194.0
[M-H]- 358.14485 192.9
[M+Na-2H]- 380.12680 199.0
[M]+ 359.15158 191.6
[M]- 359.15268 191.6
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.