CID 121241169

Chembl3986860

Structural Information

Molecular Formula
C26H27NO6
SMILES
CC(=O)OC(C1=C(C2=C(C=C1)OC(C=C2)(C)C)OC)C3=C4C=C(C(=CC4=NC=C3)OC)OC
InChI
InChI=1S/C26H27NO6/c1-15(28)32-25(16-10-12-27-20-14-23(30-5)22(29-4)13-19(16)20)18-7-8-21-17(24(18)31-6)9-11-26(2,3)33-21/h7-14,25H,1-6H3
InChIKey
KVLCFZCGIFOHCF-UHFFFAOYSA-N
Compound name
[(6,7-dimethoxyquinolin-4-yl)-(5-methoxy-2,2-dimethylchromen-6-yl)methyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

449.18384 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.19112 210.0
[M+Na]+ 472.17306 218.0
[M-H]- 448.17656 217.9
[M+NH4]+ 467.21766 220.1
[M+K]+ 488.14700 216.8
[M+H-H2O]+ 432.18110 199.0
[M+HCOO]- 494.18204 224.6
[M+CH3COO]- 508.19769 236.0
[M+Na-2H]- 470.15851 212.2
[M]+ 449.18329 219.1
[M]- 449.18439 219.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.