CID 24208937

853313-80-1

Structural Information

Molecular Formula
C19H21FN2O3
SMILES
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C=NC=C3)F)C(=O)OC
InChI
InChI=1S/C19H21FN2O3/c1-10-15(18(24)25-4)16(11-5-6-21-9-12(11)20)17-13(22-10)7-19(2,3)8-14(17)23/h5-6,9,16,22H,7-8H2,1-4H3
InChIKey
KTOOEGIFGWWUON-UHFFFAOYSA-N
Compound name
methyl 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

344.15363 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.16091 183.7
[M+Na]+ 367.14285 196.3
[M+NH4]+ 362.18745 190.8
[M+K]+ 383.11679 188.0
[M-H]- 343.14635 184.6
[M+Na-2H]- 365.12830 188.6
[M]+ 344.15308 185.7
[M]- 344.15418 185.7
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.