PubChemLite - 2-hydroxygentamicin c2 (C20H41N5O8)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C20H41N5O8/c1-7(21)9-5-4-8(22)18(31-9)32-15-10(23)12(26)11(24)16(13(15)27)33-19-14(28)17(25-3)20(2,29)6-30-19/h7-19,25-29H,4-6,21-24H2,1-3H3

InChIKey

NOLNTDUUBSKKFZ-UHFFFAOYSA-N

Compound name

2-[2,4-diamino-5-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-3,6-dihydroxycyclohexyl]oxy-5-methyl-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]+	480.30278	216.7
[M+Na]+	502.28472	217.4
[M-H]-	478.28822	209.5
[M+NH4]+	497.32932	217.0
[M+K]+	518.25866	220.5
[M+H-H2O]+	462.29276	205.7
[M+HCOO]-	524.29370	219.1
[M+CH3COO]-	538.30935	252.2
[M+Na-2H]-	500.27017	250.2
[M]+	479.29495	227.9
[M]-	479.29605	227.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

480.30278

216.7

[M+Na]+

502.28472

217.4

[M-H]-

478.28822

209.5

[M+NH4]+

497.32932

217.0

[M+K]+

518.25866

220.5

[M+H-H2O]+

462.29276

205.7

[M+HCOO]-

524.29370

219.1

[M+CH3COO]-

538.30935

252.2

[M+Na-2H]-

500.27017

250.2

[M]+

479.29495

227.9

[M]-

479.29605

227.9

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

2-hydroxygentamicin c2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe