CID 479029

1-cyclopropyl-7-[3-(dimethylamino)propyl-methyl-amino]-6-fluoro-4-oxo-quinoline-3-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.18018 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.18746 183.9
[M+Na]+ 384.16940 192.6
[M-H]- 360.17290 190.8
[M+NH4]+ 379.21400 192.0
[M+K]+ 400.14334 188.0
[M+H-H2O]+ 344.17744 174.5
[M+HCOO]- 406.17838 204.2
[M+CH3COO]- 420.19403 229.6
[M+Na-2H]- 382.15485 184.2
[M]+ 361.17963 189.9
[M]- 361.18073 189.9
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.