CID 54471087

Ciprofloxacin al

Structural Information

Molecular Formula

C₁₈H₁₈FN₃O₄

SMILES

C1CC1N2C3=CC(=C(C=C3C(=O)C(=C2C=O)C(=O)O)F)N4CCNCC4

InChI

InChI=1S/C18H18FN3O4/c19-12-7-11-13(8-14(12)21-5-3-20-4-6-21)22(10-1-2-10)15(9-23)16(17(11)24)18(25)26/h7-10,20H,1-6H2,(H,25,26)

InChIKey

XIKNVJJYFXLUDJ-UHFFFAOYSA-N

Compound name

1-cyclopropyl-6-fluoro-2-formyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 359.12814 Da
Monoisotopic Mass: -1.4
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]+	360.135416	189.7
[M+Na]+	382.117358	199.2
[M-H]-	358.120864	192.7
[M+NH4]+	377.161963	193.3
[M+K]+	398.091298	190.9
[M+H-H2O]+	342.125400	179.3
[M+HCOO]-	404.126341	200.7
[M+CH3COO]-	418.141991	214.1
[M+Na-2H]-	380.102806	188.6
[M]+	359.12759142	188.0
[M]-	359.12868858	188.0

Literature stripe

literature stripe

Patent stripe

patents stripe