PubChemLite - 55715-67-8 (C18H36N4O10)

Structural Information

Molecular Formula

SMILES

CNC1C(COC(C1O)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CN)O)O)O)N)N)O

InChI

InChI=1S/C18H36N4O10/c1-22-9-7(23)4-29-17(11(9)25)31-15-5(20)2-6(21)16(14(15)28)32-18-13(27)12(26)10(24)8(3-19)30-18/h5-18,22-28H,2-4,19-21H2,1H3

InChIKey

BDTQHFBWYNCGHN-UHFFFAOYSA-N

Compound name

2-(aminomethyl)-6-[4,6-diamino-3-[3,5-dihydroxy-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol

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]+	469.25041	213.8
[M+Na]+	491.23235	213.4
[M+NH4]+	486.27695	213.4
[M+K]+	507.20629	214.8
[M-H]-	467.23585	205.6
[M+Na-2H]-	489.21780	229.3
[M]+	468.24258	211.3
[M]-	468.24368	211.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

469.25041

213.8

[M+Na]+

491.23235

213.4

[M+NH4]+

486.27695

213.4

[M+K]+

507.20629

214.8

[M-H]-

467.23585

205.6

[M+Na-2H]-

489.21780

229.3

[M]+

468.24258

211.3

[M]-

468.24368

211.3

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

55715-67-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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