CID 29237

3-(o-methoxyphenoxy)-1,2-propanediol dinicotinate

Structural Information

Molecular Formula
C22H20N2O6
SMILES
COC1=CC=CC=C1OCC(COC(=O)C2=CN=CC=C2)OC(=O)C3=CN=CC=C3
InChI
InChI=1S/C22H20N2O6/c1-27-19-8-2-3-9-20(19)28-14-18(30-22(26)17-7-5-11-24-13-17)15-29-21(25)16-6-4-10-23-12-16/h2-13,18H,14-15H2,1H3
InChIKey
KMOVXPOORWLEPL-UHFFFAOYSA-N
Compound name
[3-(2-methoxyphenoxy)-2-(pyridine-3-carbonyloxy)propyl] pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.13214 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.13942 194.2
[M+Na]+ 431.12136 207.4
[M+NH4]+ 426.16596 198.6
[M+K]+ 447.09530 201.7
[M-H]- 407.12486 197.3
[M+Na-2H]- 429.10681 203.0
[M]+ 408.13159 196.8
[M]- 408.13269 196.8
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.