CID 479042

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

Structural Information

Molecular Formula
C21H28FN3O3
SMILES
CNCCCCCCN(C)C1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F
InChI
InChI=1S/C21H28FN3O3/c1-23-9-5-3-4-6-10-24(2)19-12-18-15(11-17(19)22)20(26)16(21(27)28)13-25(18)14-7-8-14/h11-14,23H,3-10H2,1-2H3,(H,27,28)
InChIKey
ZLZPHOQGEDLWLH-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-7-[methyl-[6-(methylamino)hexyl]amino]-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.21146 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.21874 191.4
[M+Na]+ 412.20068 199.2
[M-H]- 388.20418 196.6
[M+NH4]+ 407.24528 197.8
[M+K]+ 428.17462 192.9
[M+H-H2O]+ 372.20872 181.8
[M+HCOO]- 434.20966 210.7
[M+CH3COO]- 448.22531 232.1
[M+Na-2H]- 410.18613 191.5
[M]+ 389.21091 197.0
[M]- 389.21201 197.0
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.