CID 6475027

Chembl58923

Structural Information

Molecular Formula
C23H19NO6
SMILES
CC(=O)OC1=C(C=C(C=C1)/C=C/C2=NC3=C(C=CC=C3OC(=O)C)C=C2)OC(=O)C
InChI
InChI=1S/C23H19NO6/c1-14(25)28-20-12-8-17(13-22(20)30-16(3)27)7-10-19-11-9-18-5-4-6-21(23(18)24-19)29-15(2)26/h4-13H,1-3H3/b10-7+
InChIKey
BVIKBMYJXPYNNC-JXMROGBWSA-N
Compound name
[2-acetyloxy-4-[(E)-2-(8-acetyloxyquinolin-2-yl)ethenyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

405.12125 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.12853 194.5
[M+Na]+ 428.11047 201.5
[M-H]- 404.11397 200.7
[M+NH4]+ 423.15507 204.4
[M+K]+ 444.08441 198.4
[M+H-H2O]+ 388.11851 184.5
[M+HCOO]- 450.11945 212.9
[M+CH3COO]- 464.13510 223.5
[M+Na-2H]- 426.09592 195.0
[M]+ 405.12070 200.8
[M]- 405.12180 200.8
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.