CID 11796214

6-fluoro-7-[(3s)-3-amino-1-pyrrolidinyl]-1-(1-naphthyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid methanesulfonate

Structural Information

Molecular Formula
C24H20FN3O3
SMILES
C1CN(C[C@H]1N)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=CC5=CC=CC=C54)F
InChI
InChI=1S/C24H20FN3O3/c25-19-10-17-21(11-22(19)27-9-8-15(26)12-27)28(13-18(23(17)29)24(30)31)20-7-3-5-14-4-1-2-6-16(14)20/h1-7,10-11,13,15H,8-9,12,26H2,(H,30,31)/t15-/m0/s1
InChIKey
TZCYBUGXEYSXOX-HNNXBMFYSA-N
Compound name
7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.14886 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.15614 199.5
[M+Na]+ 440.13808 208.9
[M-H]- 416.14158 206.4
[M+NH4]+ 435.18268 209.3
[M+K]+ 456.11202 201.0
[M+H-H2O]+ 400.14612 188.1
[M+HCOO]- 462.14706 215.0
[M+CH3COO]- 476.16271 208.1
[M+Na-2H]- 438.12353 199.1
[M]+ 417.14831 197.8
[M]- 417.14941 197.8
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.