PubChemLite - Fortimicin b (C15H32N4O5)

Structural Information

Molecular Formula

SMILES

C[C@@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H]([C@@H]([C@@H]([C@H]([C@H]2O)NC)OC)O)N)N)N

InChI

InChI=1S/C15H32N4O5/c1-6(16)8-5-4-7(17)15(23-8)24-13-9(18)11(20)14(22-3)10(19-2)12(13)21/h6-15,19-21H,4-5,16-18H2,1-3H3/t6-,7+,8-,9-,10-,11-,12+,13+,14+,15+/m0/s1

InChIKey

WFMQYKIRAVMXSU-LCVFDZPESA-N

Compound name

(1S,2S,3R,4R,5S,6R)-2-amino-3-[(2R,3R,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-6-methoxy-5-(methylamino)cyclohexane-1,4-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]+	349.24455	186.4
[M+Na]+	371.22649	188.0
[M-H]-	347.22999	188.8
[M+NH4]+	366.27109	195.3
[M+K]+	387.20043	187.6
[M+H-H2O]+	331.23453	178.5
[M+HCOO]-	393.23547	199.6
[M+CH3COO]-	407.25112	224.3
[M+Na-2H]-	369.21194	180.8
[M]+	348.23672	178.1
[M]-	348.23782	178.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

349.24455

186.4

[M+Na]+

371.22649

188.0

[M-H]-

347.22999

188.8

[M+NH4]+

366.27109

195.3

[M+K]+

387.20043

187.6

[M+H-H2O]+

331.23453

178.5

[M+HCOO]-

393.23547

199.6

[M+CH3COO]-

407.25112

224.3

[M+Na-2H]-

369.21194

180.8

[M]+

348.23672

178.1

[M]-

348.23782

178.1

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

Fortimicin b

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe