Antibiotic ii-2 (C19H38N4O10)

Structural Information

Molecular Formula

SMILES

CC(C1C(C(C(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)O)NC)O)N)N)N)O)O)O

InChI

InChI=1S/C19H38N4O10/c1-5(24)15-13(28)11(26)9(22)18(31-15)32-16-6(20)3-7(21)17(14(16)29)33-19-12(27)10(23-2)8(25)4-30-19/h5-19,23-29H,3-4,20-22H2,1-2H3

InChIKey

OYLFUSSLXABVLB-UHFFFAOYSA-N

Compound name

5-amino-6-[4,6-diamino-3-[3,5-dihydroxy-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(1-hydroxyethyl)oxane-3,4-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]+	483.266076	216.7
[M+Na]+	505.248018	216.6
[M-H]-	481.251524	208.9
[M+NH4]+	500.292623	216.5
[M+K]+	521.221958	220.4
[M+H-H2O]+	465.256060	206.3
[M+HCOO]-	527.257001	218.7
[M+CH3COO]-	541.272651	248.3
[M+Na-2H]-	503.233466	248.0
[M]+	482.25825142	224.3
[M]-	482.25934858	224.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

483.266076

216.7

[M+Na]+

505.248018

216.6

[M-H]-

481.251524

208.9

[M+NH4]+

500.292623

216.5

[M+K]+

521.221958

220.4

[M+H-H2O]+

465.256060

206.3

[M+HCOO]-

527.257001

218.7

[M+CH3COO]-

541.272651

248.3

[M+Na-2H]-

503.233466

248.0

[M]+

482.25825142

224.3

[M]-

482.25934858

224.3

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

Antibiotic ii-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe