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 188.0
[M+Na]+ 382.14135 192.2
[M-H]- 358.14485 195.0
[M+NH4]+ 377.18595 197.7
[M+K]+ 398.11529 186.9
[M+H-H2O]+ 342.14939 177.1
[M+HCOO]- 404.15033 207.3
[M+CH3COO]- 418.16598 212.5
[M+Na-2H]- 380.12680 193.2
[M]+ 359.15158 189.1
[M]- 359.15268 189.1
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.