CID 5274959

Schembl9255291

Structural Information

Molecular Formula
C23H23NO6
SMILES
CC1=CC2=C(C=C1)N(C(=O)C(=C2OC)C(OC(=O)C)OC(=O)C)CC3=CC=CC=C3
InChI
InChI=1S/C23H23NO6/c1-14-10-11-19-18(12-14)21(28-4)20(23(29-15(2)25)30-16(3)26)22(27)24(19)13-17-8-6-5-7-9-17/h5-12,23H,13H2,1-4H3
InChIKey
UHVHIDIZNKSSMV-UHFFFAOYSA-N
Compound name
[acetyloxy-(1-benzyl-4-methoxy-6-methyl-2-oxoquinolin-3-yl)methyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

409.15253 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.15981 195.4
[M+Na]+ 432.14175 202.8
[M-H]- 408.14525 201.9
[M+NH4]+ 427.18635 205.4
[M+K]+ 448.11569 200.3
[M+H-H2O]+ 392.14979 185.4
[M+HCOO]- 454.15073 213.4
[M+CH3COO]- 468.16638 226.9
[M+Na-2H]- 430.12720 195.2
[M]+ 409.15198 203.0
[M]- 409.15308 203.0
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

patents stripe