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 168.0
[M+Na]+ 307.14169 172.2
[M-H]- 283.14519 173.9
[M+NH4]+ 302.18629 181.9
[M+K]+ 323.11563 170.2
[M+H-H2O]+ 267.14973 158.4
[M+HCOO]- 329.15067 190.2
[M+CH3COO]- 343.16632 206.2
[M+Na-2H]- 305.12714 171.8
[M]+ 284.15192 169.9
[M]- 284.15302 169.9
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.