PubChemLite - 4''-demethylgentamicin-c1 (C20H41N5O7)

Structural Information

Molecular Formula

SMILES

CC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)O)NC)O)N)N)N)NC

InChI

InChI=1S/C20H41N5O7/c1-8(24-2)13-5-4-9(21)19(30-13)31-17-10(22)6-11(23)18(16(17)28)32-20-15(27)14(25-3)12(26)7-29-20/h8-20,24-28H,4-7,21-23H2,1-3H3

InChIKey

OEEYBJFUFKFHDR-UHFFFAOYSA-N

Compound name

2-[4,6-diamino-3-[3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol

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]+	464.30788	217.3
[M+Na]+	486.28982	215.3
[M-H]-	462.29332	221.1
[M+NH4]+	481.33442	218.8
[M+K]+	502.26376	216.4
[M+H-H2O]+	446.29786	207.7
[M+HCOO]-	508.29880	224.5
[M+CH3COO]-	522.31445	249.9
[M+Na-2H]-	484.27527	253.6
[M]+	463.30005	206.7
[M]-	463.30115	206.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

464.30788

217.3

[M+Na]+

486.28982

215.3

[M-H]-

462.29332

221.1

[M+NH4]+

481.33442

218.8

[M+K]+

502.26376

216.4

[M+H-H2O]+

446.29786

207.7

[M+HCOO]-

508.29880

224.5

[M+CH3COO]-

522.31445

249.9

[M+Na-2H]-

484.27527

253.6

[M]+

463.30005

206.7

[M]-

463.30115

206.7

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

4''-demethylgentamicin-c1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe