CID 5274960

Schembl9255117

Structural Information

Molecular Formula
C22H29NO6
SMILES
CCCCCCN1C2=C(C=C(C=C2)C)C(=C(C1=O)C(OC(=O)C)OC(=O)C)OC
InChI
InChI=1S/C22H29NO6/c1-6-7-8-9-12-23-18-11-10-14(2)13-17(18)20(27-5)19(21(23)26)22(28-15(3)24)29-16(4)25/h10-11,13,22H,6-9,12H2,1-5H3
InChIKey
XWMGWKNRKJTUEM-UHFFFAOYSA-N
Compound name
[acetyloxy-(1-hexyl-4-methoxy-6-methyl-2-oxoquinolin-3-yl)methyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

403.1995 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.20678 195.2
[M+Na]+ 426.18872 202.2
[M-H]- 402.19222 198.2
[M+NH4]+ 421.23332 206.3
[M+K]+ 442.16266 200.2
[M+H-H2O]+ 386.19676 186.7
[M+HCOO]- 448.19770 212.5
[M+CH3COO]- 462.21335 227.7
[M+Na-2H]- 424.17417 193.3
[M]+ 403.19895 205.5
[M]- 403.20005 205.5
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