CID 5274971

Schembl9257319

Structural Information

Molecular Formula
C30H27NO8
SMILES
CC(=O)OC1=C(C(=O)N(C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC4=CC=CC=C4)C(OC(=O)C)OC(=O)C
InChI
InChI=1S/C30H27NO8/c1-19(32)37-28-25-16-24(36-18-23-12-8-5-9-13-23)14-15-26(25)31(17-22-10-6-4-7-11-22)29(35)27(28)30(38-20(2)33)39-21(3)34/h4-16,30H,17-18H2,1-3H3
InChIKey
ODFKKSXHIHYGRN-UHFFFAOYSA-N
Compound name
[1-benzyl-3-(diacetyloxymethyl)-2-oxo-6-phenylmethoxyquinolin-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

529.17365 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.18093 225.2
[M+Na]+ 552.16287 229.4
[M-H]- 528.16637 233.8
[M+NH4]+ 547.20747 228.7
[M+K]+ 568.13681 227.6
[M+H-H2O]+ 512.17091 212.5
[M+HCOO]- 574.17185 241.1
[M+CH3COO]- 588.18750 247.3
[M+Na-2H]- 550.14832 223.1
[M]+ 529.17310 233.3
[M]- 529.17420 233.3
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

patents stripe