PubChemLite - Seldomycin factor 1 (C17H34N4O10)

Structural Information

Molecular Formula

SMILES

C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)O)OC3C(C(C(CO3)O)O)N)N

InChI

InChI=1S/C17H34N4O10/c18-4-1-5(19)15(31-17-9(21)12(26)11(25)7(2-22)29-17)13(27)14(4)30-16-8(20)10(24)6(23)3-28-16/h4-17,22-27H,1-3,18-21H2

InChIKey

YNMRKGLUALDHIR-UHFFFAOYSA-N

Compound name

5-amino-6-[4,6-diamino-3-(3-amino-4,5-dihydroxyoxan-2-yl)oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)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]+	455.23478	208.3
[M+Na]+	477.21672	208.4
[M-H]-	453.22022	199.5
[M+NH4]+	472.26132	207.9
[M+K]+	493.19066	213.1
[M+H-H2O]+	437.22476	198.4
[M+HCOO]-	499.22570	210.3
[M+CH3COO]-	513.24135	241.4
[M+Na-2H]-	475.20217	238.8
[M]+	454.22695	213.8
[M]-	454.22805	213.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

455.23478

208.3

[M+Na]+

477.21672

208.4

[M-H]-

453.22022

199.5

[M+NH4]+

472.26132

207.9

[M+K]+

493.19066

213.1

[M+H-H2O]+

437.22476

198.4

[M+HCOO]-

499.22570

210.3

[M+CH3COO]-

513.24135

241.4

[M+Na-2H]-

475.20217

238.8

[M]+

454.22695

213.8

[M]-

454.22805

213.8

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

Seldomycin factor 1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe