CID 479028

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

Structural Information

Molecular Formula
C20H26FN3O3
SMILES
CCNCCCN(CC)C1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F
InChI
InChI=1S/C20H26FN3O3/c1-3-22-8-5-9-23(4-2)18-11-17-14(10-16(18)21)19(25)15(20(26)27)12-24(17)13-6-7-13/h10-13,22H,3-9H2,1-2H3,(H,26,27)
InChIKey
CREROIIIOMYFKB-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-[ethyl-[3-(ethylamino)propyl]amino]-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.19583 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.20311 187.3
[M+Na]+ 398.18505 195.5
[M-H]- 374.18855 192.7
[M+NH4]+ 393.22965 194.3
[M+K]+ 414.15899 189.4
[M+H-H2O]+ 358.19309 177.9
[M+HCOO]- 420.19403 206.9
[M+CH3COO]- 434.20968 229.3
[M+Na-2H]- 396.17050 187.9
[M]+ 375.19528 192.5
[M]- 375.19638 192.5
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.