CID 24208927

853313-36-7

Structural Information

Molecular Formula
C20H23FN2O3
SMILES
CCOC(=O)C1=C(NC2=C(C1C3=C(C=NC=C3)F)C(=O)CC(C2)(C)C)C
InChI
InChI=1S/C20H23FN2O3/c1-5-26-19(25)16-11(2)23-14-8-20(3,4)9-15(24)18(14)17(16)12-6-7-22-10-13(12)21/h6-7,10,17,23H,5,8-9H2,1-4H3
InChIKey
XLEMIUQJAQBDJY-UHFFFAOYSA-N
Compound name
ethyl 4-(3-fluoropyridin-4-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.16928 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.17656 186.1
[M+Na]+ 381.15850 194.6
[M-H]- 357.16200 188.4
[M+NH4]+ 376.20310 198.9
[M+K]+ 397.13244 189.2
[M+H-H2O]+ 341.16654 176.3
[M+HCOO]- 403.16748 198.4
[M+CH3COO]- 417.18313 215.9
[M+Na-2H]- 379.14395 185.9
[M]+ 358.16873 184.8
[M]- 358.16983 184.8
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.