CID 28414

Amquinate

Structural Information

Molecular Formula
C18H24N2O3
SMILES
CCCC1=CC2=C(C=C1N(CC)CC)NC=C(C2=O)C(=O)OC
InChI
InChI=1S/C18H24N2O3/c1-5-8-12-9-13-15(10-16(12)20(6-2)7-3)19-11-14(17(13)21)18(22)23-4/h9-11H,5-8H2,1-4H3,(H,19,21)
InChIKey
NMYCTBARPUAEQN-UHFFFAOYSA-N
Compound name
methyl 7-(diethylamino)-4-oxo-6-propyl-1H-quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

332
Patents

316.17868 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.18596 175.6
[M+Na]+ 339.16790 183.1
[M-H]- 315.17140 178.8
[M+NH4]+ 334.21250 190.1
[M+K]+ 355.14184 179.8
[M+H-H2O]+ 299.17594 167.5
[M+HCOO]- 361.17688 195.6
[M+CH3COO]- 375.19253 213.9
[M+Na-2H]- 337.15335 177.5
[M]+ 316.17813 180.4
[M]- 316.17923 180.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe