CID 5274958

Schembl9252678

Structural Information

Molecular Formula
C25H23NO9
SMILES
CC(=O)OC1=CC2=C(C=C1)N(C(=O)C(=C2OC(=O)C)C(OC(=O)C)OC(=O)C)CC3=CC=CC=C3
InChI
InChI=1S/C25H23NO9/c1-14(27)32-19-10-11-21-20(12-19)23(33-15(2)28)22(25(34-16(3)29)35-17(4)30)24(31)26(21)13-18-8-6-5-7-9-18/h5-12,25H,13H2,1-4H3
InChIKey
XQHZSKSLTGEKRP-UHFFFAOYSA-N
Compound name
[4-acetyloxy-1-benzyl-3-(diacetyloxymethyl)-2-oxoquinolin-6-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

481.13727 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.14455 206.5
[M+Na]+ 504.12649 212.1
[M-H]- 480.12999 212.8
[M+NH4]+ 499.17109 212.9
[M+K]+ 520.10043 212.2
[M+H-H2O]+ 464.13453 196.4
[M+HCOO]- 526.13547 222.8
[M+CH3COO]- 540.15112 238.6
[M+Na-2H]- 502.11194 204.3
[M]+ 481.13672 216.4
[M]- 481.13782 216.4
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