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]+ 301.15468 170.7
[M+Na]+ 323.13662 174.9
[M-H]- 299.14012 175.4
[M+NH4]+ 318.18122 183.3
[M+K]+ 339.11056 172.8
[M+H-H2O]+ 283.14466 161.7
[M+HCOO]- 345.14560 191.0
[M+CH3COO]- 359.16125 205.2
[M+Na-2H]- 321.12207 176.2
[M]+ 300.14685 172.3
[M]- 300.14795 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.