CID 3075193

172753-45-6

Structural Information

Molecular Formula
C18H18N2O5
SMILES
CC1(OC(=O)C(=CC2=C(NC3=CC=CC=C3C2=O)N(C)C)C(=O)O1)C
InChI
InChI=1S/C18H18N2O5/c1-18(2)24-16(22)12(17(23)25-18)9-11-14(21)10-7-5-6-8-13(10)19-15(11)20(3)4/h5-9H,1-4H3,(H,19,21)
InChIKey
DAYKLCFLRRWNRT-UHFFFAOYSA-N
Compound name
5-[[2-(dimethylamino)-4-oxo-1H-quinolin-3-yl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.12158 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12886 177.7
[M+Na]+ 365.11080 191.0
[M+NH4]+ 360.15540 184.5
[M+K]+ 381.08474 184.3
[M-H]- 341.11430 183.0
[M+Na-2H]- 363.09625 182.6
[M]+ 342.12103 181.1
[M]- 342.12213 181.1
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.