CID 211326

22907-26-2

Structural Information

Molecular Formula
C17H20N2O3
SMILES
CN(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CN=CC=C2)O
InChI
InChI=1S/C17H20N2O3/c1-19(2)11-12-22-16(20)17(21,14-7-4-3-5-8-14)15-9-6-10-18-13-15/h3-10,13,21H,11-12H2,1-2H3
InChIKey
HBKPXSHWKOETHP-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-hydroxy-2-phenyl-2-pyridin-3-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.1474 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.154676 170.7
[M+Na]+ 323.136618 174.9
[M-H]- 299.140124 175.4
[M+NH4]+ 318.181223 183.3
[M+K]+ 339.110558 172.8
[M+H-H2O]+ 283.144660 161.7
[M+HCOO]- 345.145601 191.0
[M+CH3COO]- 359.161251 205.2
[M+Na-2H]- 321.122066 176.2
[M]+ 300.14685142 172.3
[M]- 300.14794858 172.3
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.