CID 211322

22907-23-9

Structural Information

Molecular Formula
C19H24N2O3
SMILES
CCN(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CN=CC=C2)O
InChI
InChI=1S/C19H24N2O3/c1-3-21(4-2)13-14-24-18(22)19(23,16-9-6-5-7-10-16)17-11-8-12-20-15-17/h5-12,15,23H,3-4,13-14H2,1-2H3
InChIKey
ARHVGDWPNGJDNO-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-hydroxy-2-phenyl-2-pyridin-3-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.17868 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.185956 179.8
[M+Na]+ 351.167898 183.1
[M-H]- 327.171404 184.1
[M+NH4]+ 346.212503 191.2
[M+K]+ 367.141838 180.6
[M+H-H2O]+ 311.175940 170.4
[M+HCOO]- 373.176881 199.4
[M+CH3COO]- 387.192531 211.2
[M+Na-2H]- 349.153346 184.2
[M]+ 328.17813142 182.1
[M]- 328.17922858 182.1
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.