CID 5274963

Schembl9256867

Structural Information

Molecular Formula
C22H19NO7
SMILES
CC(=O)OC1=C(C(=O)N(C2=CC=CC=C21)C3=CC=CC=C3)C(OC(=O)C)OC(=O)C
InChI
InChI=1S/C22H19NO7/c1-13(24)28-20-17-11-7-8-12-18(17)23(16-9-5-4-6-10-16)21(27)19(20)22(29-14(2)25)30-15(3)26/h4-12,22H,1-3H3
InChIKey
DDXALKQFNHLXCJ-UHFFFAOYSA-N
Compound name
[3-(diacetyloxymethyl)-2-oxo-1-phenylquinolin-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

409.11615 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.12343 191.4
[M+Na]+ 432.10537 198.2
[M-H]- 408.10887 197.9
[M+NH4]+ 427.14997 200.9
[M+K]+ 448.07931 196.7
[M+H-H2O]+ 392.11341 181.6
[M+HCOO]- 454.11435 209.3
[M+CH3COO]- 468.13000 224.5
[M+Na-2H]- 430.09082 191.7
[M]+ 409.11560 198.4
[M]- 409.11670 198.4
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