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]+ 329.18596 179.8
[M+Na]+ 351.16790 183.1
[M-H]- 327.17140 184.1
[M+NH4]+ 346.21250 191.2
[M+K]+ 367.14184 180.6
[M+H-H2O]+ 311.17594 170.4
[M+HCOO]- 373.17688 199.4
[M+CH3COO]- 387.19253 211.2
[M+Na-2H]- 349.15335 184.2
[M]+ 328.17813 182.1
[M]- 328.17923 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.