CID 479020

1-cyclopropyl-6-fluoro-7-[1-(hydroxymethyl)pentylamino]-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C19H23FN2O4
SMILES
CCCCC(CO)NC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F
InChI
InChI=1S/C19H23FN2O4/c1-2-3-4-11(10-23)21-16-8-17-13(7-15(16)20)18(24)14(19(25)26)9-22(17)12-5-6-12/h7-9,11-12,21,23H,2-6,10H2,1H3,(H,25,26)
InChIKey
DCZVJJYKMVJUKA-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-7-(1-hydroxyhexan-2-ylamino)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.16418 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.17146 180.8
[M+Na]+ 385.15340 189.4
[M-H]- 361.15690 183.9
[M+NH4]+ 380.19800 187.3
[M+K]+ 401.12734 182.6
[M+H-H2O]+ 345.16144 172.4
[M+HCOO]- 407.16238 197.1
[M+CH3COO]- 421.17803 219.3
[M+Na-2H]- 383.13885 180.9
[M]+ 362.16363 184.4
[M]- 362.16473 184.4
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.