CID 479033

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

Structural Information

Molecular Formula
C19H23FN2O4
SMILES
CC(C)OCCCNC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F
InChI
InChI=1S/C19H23FN2O4/c1-11(2)26-7-3-6-21-16-9-17-13(8-15(16)20)18(23)14(19(24)25)10-22(17)12-4-5-12/h8-12,21H,3-7H2,1-2H3,(H,24,25)
InChIKey
MXFBVODACPFPFL-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-4-oxo-7-(3-propan-2-yloxypropylamino)quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.16418 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.17146 182.4
[M+Na]+ 385.15340 191.3
[M-H]- 361.15690 186.7
[M+NH4]+ 380.19800 189.5
[M+K]+ 401.12734 185.3
[M+H-H2O]+ 345.16144 173.5
[M+HCOO]- 407.16238 200.0
[M+CH3COO]- 421.17803 221.4
[M+Na-2H]- 383.13885 182.6
[M]+ 362.16363 187.6
[M]- 362.16473 187.6
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.