CID 50707

69780-89-8

Structural Information

Molecular Formula
C17H20N2O2
SMILES
CN(C)CCC(C1=CN=CC=C1)OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H20N2O2/c1-19(2)12-10-16(15-9-6-11-18-13-15)21-17(20)14-7-4-3-5-8-14/h3-9,11,13,16H,10,12H2,1-2H3
InChIKey
IJVCHQLIJGYVRP-UHFFFAOYSA-N
Compound name
[3-(dimethylamino)-1-pyridin-3-ylpropyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.15247 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15975 167.5
[M+Na]+ 307.14169 179.9
[M+NH4]+ 302.18629 174.8
[M+K]+ 323.11563 173.2
[M-H]- 283.14519 171.5
[M+Na-2H]- 305.12714 176.2
[M]+ 284.15192 170.3
[M]- 284.15302 170.3
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.