CID 479007

1-cyclopropyl-7-[2-diethylaminoethyl(ethyl)amino]-6-fluoro-4-oxo-quinoline-3-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.21146 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.21874 192.3
[M+Na]+ 412.20068 200.2
[M-H]- 388.20418 198.9
[M+NH4]+ 407.24528 199.3
[M+K]+ 428.17462 195.2
[M+H-H2O]+ 372.20872 182.6
[M+HCOO]- 434.20966 212.0
[M+CH3COO]- 448.22531 235.2
[M+Na-2H]- 410.18613 191.6
[M]+ 389.21091 199.0
[M]- 389.21201 199.0
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.