CID 10959909

Chebi:145478

Structural Information

Molecular Formula
C14H26N2O10
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O
InChI
InChI=1S/C14H26N2O10/c1-4(19)16-8-11(22)12(6(3-18)24-13(8)23)26-14-7(15)10(21)9(20)5(2-17)25-14/h5-14,17-18,20-23H,2-3,15H2,1H3,(H,16,19)/t5-,6-,7-,8-,9-,10-,11-,12-,13?,14+/m1/s1
InChIKey
TVLSMEPJGATPGK-UEVOBBHASA-N
Compound name
N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

382.15875 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.16603 188.5
[M+Na]+ 405.14797 190.3
[M-H]- 381.15147 187.6
[M+NH4]+ 400.19257 192.7
[M+K]+ 421.12191 191.4
[M+H-H2O]+ 365.15601 181.0
[M+HCOO]- 427.15695 195.1
[M+CH3COO]- 441.17260 217.2
[M+Na-2H]- 403.13342 184.0
[M]+ 382.15820 183.8
[M]- 382.15930 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe