PubChemLite - Deoxykanamycin (C18H36N4O10)

Structural Information

Molecular Formula

SMILES

CC1C(C(C(C(O1)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CN)O)O)O)N)N)O)N)O

InChI

InChI=1S/C18H36N4O10/c1-4-9(23)8(22)11(25)17(29-4)31-15-5(20)2-6(21)16(14(15)28)32-18-13(27)12(26)10(24)7(3-19)30-18/h4-18,23-28H,2-3,19-22H2,1H3

InChIKey

CFOGIGZVKWLSHG-UHFFFAOYSA-N

Compound name

2-(aminomethyl)-6-[4,6-diamino-3-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol

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]+	469.25041	211.5
[M+Na]+	491.23235	211.9
[M-H]-	467.23585	203.0
[M+NH4]+	486.27695	211.3
[M+K]+	507.20629	216.1
[M+H-H2O]+	451.24039	202.0
[M+HCOO]-	513.24133	213.6
[M+CH3COO]-	527.25698	245.9
[M+Na-2H]-	489.21780	242.6
[M]+	468.24258	217.5
[M]-	468.24368	217.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

469.25041

211.5

[M+Na]+

491.23235

211.9

[M-H]-

467.23585

203.0

[M+NH4]+

486.27695

211.3

[M+K]+

507.20629

216.1

[M+H-H2O]+

451.24039

202.0

[M+HCOO]-

513.24133

213.6

[M+CH3COO]-

527.25698

245.9

[M+Na-2H]-

489.21780

242.6

[M]+

468.24258

217.5

[M]-

468.24368

217.5

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

Deoxykanamycin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe