CID 485033

Trovafloxacin10

Structural Information

Molecular Formula
C18H19FN4O3
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(N=C32)N4CC5CC5(C4)CN)F)C(=O)O
InChI
InChI=1S/C18H19FN4O3/c19-13-3-11-14(24)12(17(25)26)6-23(10-1-2-10)15(11)21-16(13)22-5-9-4-18(9,7-20)8-22/h3,6,9-10H,1-2,4-5,7-8,20H2,(H,25,26)
InChIKey
DLYHXFGEZSLWNK-UHFFFAOYSA-N
Compound name
7-[1-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

358.1441 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.15138 195.7
[M+Na]+ 381.13332 205.4
[M-H]- 357.13682 200.3
[M+NH4]+ 376.17792 198.6
[M+K]+ 397.10726 198.2
[M+H-H2O]+ 341.14136 189.3
[M+HCOO]- 403.14230 207.0
[M+CH3COO]- 417.15795 201.9
[M+Na-2H]- 379.11877 193.5
[M]+ 358.14355 198.7
[M]- 358.14465 198.7
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