CID 14457270

N-methyl gatifloxacin

Structural Information

Molecular Formula

C₂₀H₂₄FN₃O₄

SMILES

CC1CN(CCN1C)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C20H24FN3O4/c1-11-9-23(7-6-22(11)2)17-15(21)8-13-16(19(17)28-3)24(12-4-5-12)10-14(18(13)25)20(26)27/h8,10-12H,4-7,9H2,1-3H3,(H,26,27)

InChIKey

YDBVQXCJOKMPST-UHFFFAOYSA-N

Compound name

1-cyclopropyl-7-(3,4-dimethylpiperazin-1-yl)-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 389.17508 Da
Monoisotopic Mass: -0.3
XlogP (predicted)

Profile

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]+	390.182356	200.9
[M+Na]+	412.164298	211.2
[M-H]-	388.167804	205.4
[M+NH4]+	407.208903	204.5
[M+K]+	428.138238	203.8
[M+H-H2O]+	372.172340	190.1
[M+HCOO]-	434.173281	212.1
[M+CH3COO]-	448.188931	224.9
[M+Na-2H]-	410.149746	197.5
[M]+	389.17453142	202.8
[M]-	389.17562858	202.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe