CID 211320

22907-22-8

Structural Information

Molecular Formula
C20H26N2O4
SMILES
CCN(CC)CCOC(=O)C(C1=CC=C(C=C1)OC)(C2=CN=CC=C2)O
InChI
InChI=1S/C20H26N2O4/c1-4-22(5-2)13-14-26-19(23)20(24,17-7-6-12-21-15-17)16-8-10-18(25-3)11-9-16/h6-12,15,24H,4-5,13-14H2,1-3H3
InChIKey
KFBRPHNWEYCDQE-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-hydroxy-2-(4-methoxyphenyl)-2-pyridin-3-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.18927 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.196546 187.1
[M+Na]+ 381.178488 190.7
[M-H]- 357.181994 191.6
[M+NH4]+ 376.223093 197.5
[M+K]+ 397.152428 188.7
[M+H-H2O]+ 341.186530 177.4
[M+HCOO]- 403.187471 206.5
[M+CH3COO]- 417.203121 217.4
[M+Na-2H]- 379.163936 190.4
[M]+ 358.18872142 191.5
[M]- 358.18981858 191.5
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.