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]+ 359.19655 187.1
[M+Na]+ 381.17849 190.7
[M-H]- 357.18199 191.6
[M+NH4]+ 376.22309 197.5
[M+K]+ 397.15243 188.7
[M+H-H2O]+ 341.18653 177.4
[M+HCOO]- 403.18747 206.5
[M+CH3COO]- 417.20312 217.4
[M+Na-2H]- 379.16394 190.4
[M]+ 358.18872 191.5
[M]- 358.18982 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.