CID 479022

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

Structural Information

Molecular Formula
C19H24FN3O3
SMILES
CC(C)NCCCNC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F
InChI
InChI=1S/C19H24FN3O3/c1-11(2)21-6-3-7-22-16-9-17-13(8-15(16)20)18(24)14(19(25)26)10-23(17)12-4-5-12/h8-12,21-22H,3-7H2,1-2H3,(H,25,26)
InChIKey
VBDDDJQZRSUYGO-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-4-oxo-7-[3-(propan-2-ylamino)propylamino]quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.18018 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.18746 181.4
[M+Na]+ 384.16940 189.7
[M-H]- 360.17290 185.7
[M+NH4]+ 379.21400 188.4
[M+K]+ 400.14334 183.1
[M+H-H2O]+ 344.17744 172.7
[M+HCOO]- 406.17838 200.0
[M+CH3COO]- 420.19403 224.4
[M+Na-2H]- 382.15485 182.3
[M]+ 361.17963 184.7
[M]- 361.18073 184.7
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.