CID 9838858

Decarboxy ciprofloxacin

Structural Information

Molecular Formula
C16H18FN3O
SMILES
C1CC1N2C=CC(=O)C3=CC(=C(C=C32)N4CCNCC4)F
InChI
InChI=1S/C16H18FN3O/c17-13-9-12-14(10-15(13)19-7-4-18-5-8-19)20(11-1-2-11)6-3-16(12)21/h3,6,9-11,18H,1-2,4-5,7-8H2
InChIKey
QDYUSAJJDOBXBM-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-7-piperazin-1-ylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

42
Patents

287.1434 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15068 174.1
[M+Na]+ 310.13262 183.5
[M-H]- 286.13612 177.8
[M+NH4]+ 305.17722 181.2
[M+K]+ 326.10656 175.7
[M+H-H2O]+ 270.14066 162.9
[M+HCOO]- 332.14160 187.6
[M+CH3COO]- 346.15725 182.7
[M+Na-2H]- 308.11807 176.5
[M]+ 287.14285 170.1
[M]- 287.14395 170.1
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