CID 479021

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

Structural Information

Molecular Formula
C19H24FN3O3
SMILES
CCCNCCCNC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F
InChI
InChI=1S/C19H24FN3O3/c1-2-6-21-7-3-8-22-16-10-17-13(9-15(16)20)18(24)14(19(25)26)11-23(17)12-4-5-12/h9-12,21-22H,2-8H2,1H3,(H,25,26)
InChIKey
UXQOTNLOAKZDAY-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-4-oxo-7-[3-(propylamino)propylamino]quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.18018 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.18746 181.9
[M+Na]+ 384.16940 190.5
[M-H]- 360.17290 186.1
[M+NH4]+ 379.21400 188.9
[M+K]+ 400.14334 183.3
[M+H-H2O]+ 344.17744 172.8
[M+HCOO]- 406.17838 201.4
[M+CH3COO]- 420.19403 223.5
[M+Na-2H]- 382.15485 183.8
[M]+ 361.17963 185.7
[M]- 361.18073 185.7
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.