CID 5274965

Schembl9257200

Structural Information

Molecular Formula
C23H29NO7
SMILES
CCCCCCN1C2=C(C=C(C=C2)C)C(=C(C1=O)C(OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C23H29NO7/c1-6-7-8-9-12-24-19-11-10-14(2)13-18(19)21(29-15(3)25)20(22(24)28)23(30-16(4)26)31-17(5)27/h10-11,13,23H,6-9,12H2,1-5H3
InChIKey
ZCJJBAAHDGETGK-UHFFFAOYSA-N
Compound name
[3-(diacetyloxymethyl)-1-hexyl-6-methyl-2-oxoquinolin-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

431.1944 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.20168 199.9
[M+Na]+ 454.18362 206.2
[M-H]- 430.18712 202.8
[M+NH4]+ 449.22822 209.6
[M+K]+ 470.15756 204.9
[M+H-H2O]+ 414.19166 191.4
[M+HCOO]- 476.19260 216.2
[M+CH3COO]- 490.20825 232.4
[M+Na-2H]- 452.16907 196.7
[M]+ 431.19385 210.5
[M]- 431.19495 210.5
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