CID 5274966

Schembl9257528

Structural Information

Molecular Formula
C24H23NO7
SMILES
CC1=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/C24H23NO7/c1-14-10-11-20-19(12-14)22(30-15(2)26)21(24(31-16(3)27)32-17(4)28)23(29)25(20)13-18-8-6-5-7-9-18/h5-12,24H,13H2,1-4H3
InChIKey
AKMCYMXTYNBQJO-UHFFFAOYSA-N
Compound name
[1-benzyl-3-(diacetyloxymethyl)-6-methyl-2-oxoquinolin-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

437.14746 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.15474 200.1
[M+Na]+ 460.13668 206.8
[M-H]- 436.14018 206.5
[M+NH4]+ 455.18128 208.7
[M+K]+ 476.11062 205.2
[M+H-H2O]+ 420.14472 190.2
[M+HCOO]- 482.14566 217.2
[M+CH3COO]- 496.16131 231.6
[M+Na-2H]- 458.12213 198.7
[M]+ 437.14691 208.2
[M]- 437.14801 208.2
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