CID 22833588

N-acetyl-6-o-l-fucosyl-d-glucosamine

Structural Information

Molecular Formula
C14H25NO10
SMILES
C[C@H]1[C@H]([C@H]([C@@H](C(O1)OCC([C@H]([C@@H]([C@H](C=O)NC(=O)C)O)O)O)O)O)O
InChI
InChI=1S/C14H25NO10/c1-5-9(19)12(22)13(23)14(25-5)24-4-8(18)11(21)10(20)7(3-16)15-6(2)17/h3,5,7-14,18-23H,4H2,1-2H3,(H,15,17)/t5-,7-,8?,9+,10+,11+,12+,13-,14?/m0/s1
InChIKey
YBWAUUBLHOFOPK-SOHGFDPZSA-N
Compound name
N-[(2R,3R,4S)-3,4,5-trihydroxy-1-oxo-6-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.14786 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.15514 180.3
[M+Na]+ 390.13708 180.6
[M-H]- 366.14058 175.4
[M+NH4]+ 385.18168 186.2
[M+K]+ 406.11102 182.5
[M+H-H2O]+ 350.14512 173.9
[M+HCOO]- 412.14606 187.1
[M+CH3COO]- 426.16171 210.4
[M+Na-2H]- 388.12253 173.8
[M]+ 367.14731 178.0
[M]- 367.14841 178.0
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.