PubChemLite - Fortimicin kg(sub 3) (C17H33N5O6)

Structural Information

Molecular Formula

SMILES

CC(C1=CCC(C(O1)OC2C(C(C(C(C2O)N(C)C(=O)CN)OC)O)N)N)N

InChI

InChI=1S/C17H33N5O6/c1-7(19)9-5-4-8(20)17(27-9)28-15-11(21)13(24)16(26-3)12(14(15)25)22(2)10(23)6-18/h5,7-8,11-17,24-25H,4,6,18-21H2,1-3H3

InChIKey

XBIIUEZNTSTEGE-UHFFFAOYSA-N

Compound name

2-amino-N-[4-amino-3-[[3-amino-6-(1-aminoethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2,5-dihydroxy-6-methoxycyclohexyl]-N-methylacetamide

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]+	404.25035	199.6
[M+Na]+	426.23229	200.4
[M-H]-	402.23579	202.9
[M+NH4]+	421.27689	206.1
[M+K]+	442.20623	201.9
[M+H-H2O]+	386.24033	190.7
[M+HCOO]-	448.24127	213.7
[M+CH3COO]-	462.25692	240.7
[M+Na-2H]-	424.21774	191.7
[M]+	403.24252	192.9
[M]-	403.24362	192.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

404.25035

199.6

[M+Na]+

426.23229

200.4

[M-H]-

402.23579

202.9

[M+NH4]+

421.27689

206.1

[M+K]+

442.20623

201.9

[M+H-H2O]+

386.24033

190.7

[M+HCOO]-

448.24127

213.7

[M+CH3COO]-

462.25692

240.7

[M+Na-2H]-

424.21774

191.7

[M]+

403.24252

192.9

[M]-

403.24362

192.9

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

Fortimicin kg(sub 3)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe