CID 456902

Ethambutol-arabinose hybrid

Structural Information

Molecular Formula
C10H21NO5
SMILES
CC[C@H](CO)NC[C@H]1[C@H]([C@@H]([C@H](O1)CO)O)O
InChI
InChI=1S/C10H21NO5/c1-2-6(4-12)11-3-7-9(14)10(15)8(5-13)16-7/h6-15H,2-5H2,1H3/t6-,7+,8-,9-,10-/m1/s1
InChIKey
QCLXOECYCFFJAW-JDDHQFAOSA-N
Compound name
(2S,3S,4S,5R)-2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

235.14197 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.14925 154.6
[M+Na]+ 258.13119 158.7
[M-H]- 234.13469 153.0
[M+NH4]+ 253.17579 169.9
[M+K]+ 274.10513 157.5
[M+H-H2O]+ 218.13923 149.3
[M+HCOO]- 280.14017 170.4
[M+CH3COO]- 294.15582 185.5
[M+Na-2H]- 256.11664 154.3
[M]+ 235.14142 152.6
[M]- 235.14252 152.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.