CID 479034

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

Structural Information

Molecular Formula
C20H25FN2O4
SMILES
CCCCOCCCNC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F
InChI
InChI=1S/C20H25FN2O4/c1-2-3-8-27-9-4-7-22-17-11-18-14(10-16(17)21)19(24)15(20(25)26)12-23(18)13-5-6-13/h10-13,22H,2-9H2,1H3,(H,25,26)
InChIKey
IKDVZSYYZYXLIS-UHFFFAOYSA-N
Compound name
7-(3-butoxypropylamino)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.17984 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.18712 187.3
[M+Na]+ 399.16906 196.0
[M-H]- 375.17256 191.3
[M+NH4]+ 394.21366 193.8
[M+K]+ 415.14300 189.2
[M+H-H2O]+ 359.17710 177.9
[M+HCOO]- 421.17804 205.4
[M+CH3COO]- 435.19369 223.3
[M+Na-2H]- 397.15451 188.0
[M]+ 376.17929 193.3
[M]- 376.18039 193.3
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.