CID 212047

23826-70-2

Structural Information

Molecular Formula
C21H28N2O5
SMILES
CCN(CC)CCOC(=O)C(C1=CC(=C(C=C1)OC)OC)(C2=CN=CC=C2)O
InChI
InChI=1S/C21H28N2O5/c1-5-23(6-2)12-13-28-20(24)21(25,17-8-7-11-22-15-17)16-9-10-18(26-3)19(14-16)27-4/h7-11,14-15,25H,5-6,12-13H2,1-4H3
InChIKey
AULNCFYWUVLSRM-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-(3,4-dimethoxyphenyl)-2-hydroxy-2-pyridin-3-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.19983 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.20711 194.1
[M+Na]+ 411.18905 198.0
[M-H]- 387.19255 198.8
[M+NH4]+ 406.23365 203.5
[M+K]+ 427.16299 196.6
[M+H-H2O]+ 371.19709 184.3
[M+HCOO]- 433.19803 213.4
[M+CH3COO]- 447.21368 223.7
[M+Na-2H]- 409.17450 196.5
[M]+ 388.19928 200.7
[M]- 388.20038 200.7
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.