CID 119547

Nalmine

Structural Information

Molecular Formula
C14H25NO11
SMILES
CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O
InChI
InChI=1S/C14H25NO11/c1-5(19)15-6(2-16)9(21)13(7(20)3-17)26-14-12(24)11(23)10(22)8(4-18)25-14/h2,6-14,17-18,20-24H,3-4H2,1H3,(H,15,19)/t6-,7+,8+,9+,10-,11-,12+,13+,14-/m0/s1
InChIKey
HESSGHHCXGBPAJ-ZBELOFFLSA-N
Compound name
N-[(2R,3R,4S,5R)-3,5,6-trihydroxy-1-oxo-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

131
References

48
Patents

383.14276 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.150036 182.0
[M+Na]+ 406.131978 181.5
[M-H]- 382.135484 175.6
[M+NH4]+ 401.176583 186.4
[M+K]+ 422.105918 183.6
[M+H-H2O]+ 366.140020 175.3
[M+HCOO]- 428.140961 187.4
[M+CH3COO]- 442.156611 211.3
[M+Na-2H]- 404.117426 175.3
[M]+ 383.14221142 179.4
[M]- 383.14330858 179.4
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

No patent data available for this compound.