CID 461438

Pd 109813

Structural Information

Molecular Formula
C19H17FN2O3
SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)NCC3=CC=CC=C3)F)C(=O)O
InChI
InChI=1S/C19H17FN2O3/c1-2-22-11-14(19(24)25)18(23)13-8-15(20)16(9-17(13)22)21-10-12-6-4-3-5-7-12/h3-9,11,21H,2,10H2,1H3,(H,24,25)
InChIKey
WHQJAZULTNBKEN-UHFFFAOYSA-N
Compound name
7-(benzylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

340.1223 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.12958 178.2
[M+Na]+ 363.11152 187.1
[M-H]- 339.11502 182.4
[M+NH4]+ 358.15612 190.5
[M+K]+ 379.08546 181.2
[M+H-H2O]+ 323.11956 168.2
[M+HCOO]- 385.12050 197.5
[M+CH3COO]- 399.13615 214.2
[M+Na-2H]- 361.09697 181.4
[M]+ 340.12175 178.8
[M]- 340.12285 178.8
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.