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]+ 389.207106 194.1
[M+Na]+ 411.189048 198.0
[M-H]- 387.192554 198.8
[M+NH4]+ 406.233653 203.5
[M+K]+ 427.162988 196.6
[M+H-H2O]+ 371.197090 184.3
[M+HCOO]- 433.198031 213.4
[M+CH3COO]- 447.213681 223.7
[M+Na-2H]- 409.174496 196.5
[M]+ 388.19928142 200.7
[M]- 388.20037858 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.