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]+ 285.159746 168.0
[M+Na]+ 307.141688 172.2
[M-H]- 283.145194 173.9
[M+NH4]+ 302.186293 181.9
[M+K]+ 323.115628 170.2
[M+H-H2O]+ 267.149730 158.4
[M+HCOO]- 329.150671 190.2
[M+CH3COO]- 343.166321 206.2
[M+Na-2H]- 305.127136 171.8
[M]+ 284.15192142 169.9
[M]- 284.15301858 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.