CID 211393

22965-72-6

Structural Information

Molecular Formula
C19H24N2O5
SMILES
CN(C)CCOC(=O)C(C1=CC(=C(C=C1)OC)OC)(C2=CN=CC=C2)O
InChI
InChI=1S/C19H24N2O5/c1-21(2)10-11-26-18(22)19(23,15-6-5-9-20-13-15)14-7-8-16(24-3)17(12-14)25-4/h5-9,12-13,23H,10-11H2,1-4H3
InChIKey
KJYGJUXNOMFYPY-UHFFFAOYSA-N
Compound name
2-(dimethylamino)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

360.16852 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.17580 185.1
[M+Na]+ 383.15774 189.8
[M-H]- 359.16124 190.2
[M+NH4]+ 378.20234 195.6
[M+K]+ 399.13168 188.9
[M+H-H2O]+ 343.16578 175.6
[M+HCOO]- 405.16672 205.0
[M+CH3COO]- 419.18237 217.9
[M+Na-2H]- 381.14319 188.4
[M]+ 360.16797 191.0
[M]- 360.16907 191.0
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.