CID 99132

Gangamicin

Structural Information

Molecular Formula

C₁₇H₂₀N₂O₂

SMILES

C1CCCC(CCC1)NC2=CC(=O)C3=C(C2=O)C=CC=N3

InChI

InChI=1S/C17H20N2O2/c20-15-11-14(17(21)13-9-6-10-18-16(13)15)19-12-7-4-2-1-3-5-8-12/h6,9-12,19H,1-5,7-8H2

InChIKey

UCBSXTTUNYWOCC-UHFFFAOYSA-N

Compound name

6-(cyclooctylamino)quinoline-5,8-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 206
Patents: 284.15247 Da
Monoisotopic Mass: 3.8
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]+	285.15975	162.5
[M+Na]+	307.14169	166.4
[M-H]-	283.14519	165.0
[M+NH4]+	302.18629	169.2
[M+K]+	323.11563	165.3
[M+H-H2O]+	267.14973	157.5
[M+HCOO]-	329.15067	170.2
[M+CH3COO]-	343.16632	166.3
[M+Na-2H]-	305.12714	162.0
[M]+	284.15192	159.8
[M]-	284.15302	159.8

Literature stripe

literature stripe

Patent stripe

patents stripe