CID 3076564

Brn 4760429

Structural Information

Molecular Formula
C17H23NO5
SMILES
CCOC(=O)C1C(=CNC2=C1C(=O)CC(C2)(C)C)C(=O)OCC
InChI
InChI=1S/C17H23NO5/c1-5-22-15(20)10-9-18-11-7-17(3,4)8-12(19)14(11)13(10)16(21)23-6-2/h9,13,18H,5-8H2,1-4H3
InChIKey
GQQOHOWPNUDDTI-UHFFFAOYSA-N
Compound name
diethyl 7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.15762 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.16490 175.1
[M+Na]+ 344.14684 184.5
[M+NH4]+ 339.19144 181.4
[M+K]+ 360.12078 178.3
[M-H]- 320.15034 173.9
[M+Na-2H]- 342.13229 177.0
[M]+ 321.15707 175.8
[M]- 321.15817 175.8
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.