CID 5276282

Propyl 1-benzyl-2-methoxy-6-methyl-4-oxo-quinoline-3-carboxylate

Structural Information

Molecular Formula
C22H23NO4
SMILES
CCCOC(=O)C1=C(N(C2=C(C1=O)C=C(C=C2)C)CC3=CC=CC=C3)OC
InChI
InChI=1S/C22H23NO4/c1-4-12-27-22(25)19-20(24)17-13-15(2)10-11-18(17)23(21(19)26-3)14-16-8-6-5-7-9-16/h5-11,13H,4,12,14H2,1-3H3
InChIKey
PGWWVQHQIQLWNU-UHFFFAOYSA-N
Compound name
propyl 1-benzyl-2-methoxy-6-methyl-4-oxoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.16272 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17000 187.8
[M+Na]+ 388.15194 196.5
[M-H]- 364.15544 194.3
[M+NH4]+ 383.19654 200.1
[M+K]+ 404.12588 192.0
[M+H-H2O]+ 348.15998 177.9
[M+HCOO]- 410.16092 207.7
[M+CH3COO]- 424.17657 219.1
[M+Na-2H]- 386.13739 189.9
[M]+ 365.16217 194.2
[M]- 365.16327 194.2
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

No patent data available for this compound.