CID 59192

101952-80-1

Structural Information

Molecular Formula
C20H17NO2
SMILES
CC1=CC(=CC=C1)C(C2=CC=CC=C2)OC(=O)C3=CN=CC=C3
InChI
InChI=1S/C20H17NO2/c1-15-7-5-10-17(13-15)19(16-8-3-2-4-9-16)23-20(22)18-11-6-12-21-14-18/h2-14,19H,1H3
InChIKey
ZHMDASMDTSWVRD-UHFFFAOYSA-N
Compound name
[(3-methylphenyl)-phenylmethyl] pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.12592 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.13320 172.1
[M+Na]+ 326.11514 188.4
[M+NH4]+ 321.15974 180.5
[M+K]+ 342.08908 179.7
[M-H]- 302.11864 178.5
[M+Na-2H]- 324.10059 184.1
[M]+ 303.12537 176.4
[M]- 303.12647 176.4
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.