CID 51056294

Decarboxyl ofloxacin

Structural Information

Molecular Formula
C17H20FN3O2
SMILES
CC1COC2=C3N1C=CC(=O)C3=CC(=C2N4CCN(CC4)C)F
InChI
InChI=1S/C17H20FN3O2/c1-11-10-23-17-15-12(14(22)3-4-21(11)15)9-13(18)16(17)20-7-5-19(2)6-8-20/h3-4,9,11H,5-8,10H2,1-2H3
InChIKey
XTLCAWXSWVQNHK-UHFFFAOYSA-N
Compound name
7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

317.15396 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.16124 178.4
[M+Na]+ 340.14318 187.0
[M-H]- 316.14668 180.9
[M+NH4]+ 335.18778 189.8
[M+K]+ 356.11712 182.3
[M+H-H2O]+ 300.15122 166.5
[M+HCOO]- 362.15216 188.2
[M+CH3COO]- 376.16781 187.4
[M+Na-2H]- 338.12863 181.1
[M]+ 317.15341 176.0
[M]- 317.15451 176.0
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

patents stripe