PubChemLite - Combimicin b(sub 2) (C20H41N5O8)

Structural Information

Molecular Formula

SMILES

CC1(C(OC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CCC(O3)CN)N)N)N)CO)O

InChI

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

InChIKey

FMXYGJMKSMWHKV-UHFFFAOYSA-N

Compound name

6-[4,6-diamino-3-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)-3-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	215.0
[M+Na]+	502.28472	215.8
[M-H]-	478.28822	206.8
[M+NH4]+	497.32932	215.1
[M+K]+	518.25866	219.2
[M+H-H2O]+	462.29276	204.3
[M+HCOO]-	524.29370	217.2
[M+CH3COO]-	538.30935	251.0
[M+Na-2H]-	500.27017	247.8
[M]+	479.29495	224.0
[M]-	479.29605	224.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

480.30278

215.0

[M+Na]+

502.28472

215.8

[M-H]-

478.28822

206.8

[M+NH4]+

497.32932

215.1

[M+K]+

518.25866

219.2

[M+H-H2O]+

462.29276

204.3

[M+HCOO]-

524.29370

217.2

[M+CH3COO]-

538.30935

251.0

[M+Na-2H]-

500.27017

247.8

[M]+

479.29495

224.0

[M]-

479.29605

224.0

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

Combimicin b(sub 2)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe