CID 3038982

F 1176

Structural Information

Molecular Formula
C24H23NO7
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)OC(C2=CC=CC=C2)C(=O)OCC3=CC=CC=N3
InChI
InChI=1S/C24H23NO7/c1-28-19-13-17(14-20(29-2)22(19)30-3)23(26)32-21(16-9-5-4-6-10-16)24(27)31-15-18-11-7-8-12-25-18/h4-14,21H,15H2,1-3H3
InChIKey
VSJBAXXKTIASOR-UHFFFAOYSA-N
Compound name
[2-oxo-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl] 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.14746 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.15474 202.4
[M+Na]+ 460.13668 206.9
[M-H]- 436.14018 210.4
[M+NH4]+ 455.18128 209.1
[M+K]+ 476.11062 205.6
[M+H-H2O]+ 420.14472 190.6
[M+HCOO]- 482.14566 221.7
[M+CH3COO]- 496.16131 228.1
[M+Na-2H]- 458.12213 202.5
[M]+ 437.14691 210.0
[M]- 437.14801 210.0
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.