CID 63000

Desethylene ciprofloxacin

Structural Information

Molecular Formula
C15H16FN3O3
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)NCCN)F)C(=O)O
InChI
InChI=1S/C15H16FN3O3/c16-11-5-9-13(6-12(11)18-4-3-17)19(8-1-2-8)7-10(14(9)20)15(21)22/h5-8,18H,1-4,17H2,(H,21,22)
InChIKey
ZYLULTURYPAERI-UHFFFAOYSA-N
Compound name
7-(2-aminoethylamino)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

63
Patents

305.11758 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12486 165.3
[M+Na]+ 328.10680 175.7
[M-H]- 304.11030 169.8
[M+NH4]+ 323.15140 174.3
[M+K]+ 344.08074 169.0
[M+H-H2O]+ 288.11484 157.1
[M+HCOO]- 350.11578 185.5
[M+CH3COO]- 364.13143 211.7
[M+Na-2H]- 326.09225 168.2
[M]+ 305.11703 166.9
[M]- 305.11813 166.9
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

patents stripe