CID 465943

Chembl15504

Structural Information

Molecular Formula
C19H24FN3O3
SMILES
CC(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCC(C3)CNC)F)C(=O)O
InChI
InChI=1S/C19H24FN3O3/c1-11(2)23-10-14(19(25)26)18(24)13-6-15(20)17(7-16(13)23)22-5-4-12(9-22)8-21-3/h6-7,10-12,21H,4-5,8-9H2,1-3H3,(H,25,26)
InChIKey
ZHNUOESGVCOELD-UHFFFAOYSA-N
Compound name
6-fluoro-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

361.18018 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.18746 185.7
[M+Na]+ 384.16940 193.1
[M-H]- 360.17290 188.5
[M+NH4]+ 379.21400 197.9
[M+K]+ 400.14334 188.1
[M+H-H2O]+ 344.17744 176.6
[M+HCOO]- 406.17838 200.7
[M+CH3COO]- 420.19403 219.6
[M+Na-2H]- 382.15485 182.7
[M]+ 361.17963 184.8
[M]- 361.18073 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

literature stripe

Patent stripe

No patent data available for this compound.