PubChemLite - Ecenofloxacin hydrochloride (C19H21FN4O3)

Structural Information

Molecular Formula

SMILES

C[C@@]12C[C@@H]([C@@H]1CN(C2)C3=C(C=C4C(=O)C(=CN(C4=N3)C5CC5)C(=O)O)F)N

InChI

InChI=1S/C19H21FN4O3/c1-19-5-14(21)12(19)7-23(8-19)17-13(20)4-10-15(25)11(18(26)27)6-24(9-2-3-9)16(10)22-17/h4,6,9,12,14H,2-3,5,7-8,21H2,1H3,(H,26,27)/t12-,14-,19-/m0/s1

InChIKey

WNVIWAUAXKEKKF-PJFSTRORSA-N

Compound name

7-[(1R,5S,6S)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	373.16704	194.5
[M+Na]+	395.14898	204.1
[M-H]-	371.15248	199.6
[M+NH4]+	390.19358	196.8
[M+K]+	411.12292	199.7
[M+H-H2O]+	355.15702	181.3
[M+HCOO]-	417.15796	206.0
[M+CH3COO]-	431.17361	202.1
[M+Na-2H]-	393.13443	192.1
[M]+	372.15921	203.4
[M]-	372.16031	203.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

373.16704

194.5

[M+Na]+

395.14898

204.1

[M-H]-

371.15248

199.6

[M+NH4]+

390.19358

196.8

[M+K]+

411.12292

199.7

[M+H-H2O]+

355.15702

181.3

[M+HCOO]-

417.15796

206.0

[M+CH3COO]-

431.17361

202.1

[M+Na-2H]-

393.13443

192.1

[M]+

372.15921

203.4

[M]-

372.16031

203.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Ecenofloxacin hydrochloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe