CID 479047

1-cyclopropyl-6-fluoro-7-(6-hydroxyhexylamino)-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C19H23FN2O4
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)NCCCCCCO)F)C(=O)O
InChI
InChI=1S/C19H23FN2O4/c20-15-9-13-17(10-16(15)21-7-3-1-2-4-8-23)22(12-5-6-12)11-14(18(13)24)19(25)26/h9-12,21,23H,1-8H2,(H,25,26)
InChIKey
KTQBXTWFPYJWGN-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-7-(6-hydroxyhexylamino)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.16418 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.17146 181.5
[M+Na]+ 385.15340 190.3
[M-H]- 361.15690 184.4
[M+NH4]+ 380.19800 188.0
[M+K]+ 401.12734 183.0
[M+H-H2O]+ 345.16144 172.8
[M+HCOO]- 407.16238 198.6
[M+CH3COO]- 421.17803 218.4
[M+Na-2H]- 383.13885 182.6
[M]+ 362.16363 185.6
[M]- 362.16473 185.6
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.