CID 5274968

Schembl9255871

Structural Information

Molecular Formula
C20H23NO7
SMILES
CCC(=O)OC1=C(C(=O)N(C2=CC=CC=C21)C)C(OC(=O)CC)OC(=O)CC
InChI
InChI=1S/C20H23NO7/c1-5-14(22)26-18-12-10-8-9-11-13(12)21(4)19(25)17(18)20(27-15(23)6-2)28-16(24)7-3/h8-11,20H,5-7H2,1-4H3
InChIKey
LWYXPPQGFXEFEI-UHFFFAOYSA-N
Compound name
[3-[di(propanoyloxy)methyl]-1-methyl-2-oxoquinolin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

389.14746 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.15474 186.8
[M+Na]+ 412.13668 193.6
[M-H]- 388.14018 189.9
[M+NH4]+ 407.18128 197.9
[M+K]+ 428.11062 192.8
[M+H-H2O]+ 372.14472 178.6
[M+HCOO]- 434.14566 204.2
[M+CH3COO]- 448.16131 222.3
[M+Na-2H]- 410.12213 185.8
[M]+ 389.14691 196.0
[M]- 389.14801 196.0
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