PubChemLite - 2-hydroxysagamicin (C20H41N5O8)

Structural Information

Molecular Formula

SMILES

CC1(COC(C(C1NC)O)OC2C(C(C(C(C2O)OC3C(CCC(O3)CNC)N)N)O)N)O

InChI

InChI=1S/C20H41N5O8/c1-20(29)7-30-19(14(28)17(20)25-3)33-16-11(23)12(26)10(22)15(13(16)27)32-18-9(21)5-4-8(31-18)6-24-2/h8-19,24-29H,4-7,21-23H2,1-3H3

InChIKey

IAMSXPNLUNHNQH-UHFFFAOYSA-N

Compound name

2-[2,4-diamino-5-[3-amino-6-(methylaminomethyl)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	215.8
[M+Na]+	502.28472	216.7
[M-H]-	478.28822	207.8
[M+NH4]+	497.32932	215.9
[M+K]+	518.25866	219.6
[M+H-H2O]+	462.29276	205.1
[M+HCOO]-	524.29370	218.1
[M+CH3COO]-	538.30935	251.1
[M+Na-2H]-	500.27017	248.6
[M]+	479.29495	224.7
[M]-	479.29605	224.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

480.30278

215.8

[M+Na]+

502.28472

216.7

[M-H]-

478.28822

207.8

[M+NH4]+

497.32932

215.9

[M+K]+

518.25866

219.6

[M+H-H2O]+

462.29276

205.1

[M+HCOO]-

524.29370

218.1

[M+CH3COO]-

538.30935

251.1

[M+Na-2H]-

500.27017

248.6

[M]+

479.29495

224.7

[M]-

479.29605

224.7

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

2-hydroxysagamicin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe