CID 11772991

69266-16-6

Structural Information

Molecular Formula
C12H21N3O10
SMILES
C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)N=[N+]=[N-])CO)O)O)O)O
InChI
InChI=1S/C12H21N3O10/c13-15-14-11-8(21)7(20)10(4(2-17)23-11)25-12-9(22)6(19)5(18)3(1-16)24-12/h3-12,16-22H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1
InChIKey
FJOYNMRZUBUGGP-DCSYEGIMSA-N
Compound name
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-6-azido-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

367.12268 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.12996 179.2
[M+Na]+ 390.11190 184.1
[M+NH4]+ 385.15650 180.6
[M+K]+ 406.08584 187.5
[M-H]- 366.11540 181.3
[M+Na-2H]- 388.09735 175.2
[M]+ 367.12213 179.4
[M]- 367.12323 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

literature stripe

Patent stripe

patents stripe