CID 97182192

1431221-75-8

Structural Information

Molecular Formula
C12H22N4O7
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCCOCCN=[N+]=[N-])CO)O)O
InChI
InChI=1S/C12H22N4O7/c1-7(18)15-9-11(20)10(19)8(6-17)23-12(9)22-5-4-21-3-2-14-16-13/h8-12,17,19-20H,2-6H2,1H3,(H,15,18)/t8-,9-,10-,11-,12+/m1/s1
InChIKey
YIYBKMXLQSWSPH-OOCWMUITSA-N
Compound name
N-[(2S,3R,4R,5S,6R)-2-[2-(2-azidoethoxy)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.14883 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15611 171.8
[M+Na]+ 357.13805 173.9
[M-H]- 333.14155 173.7
[M+NH4]+ 352.18265 181.7
[M+K]+ 373.11199 169.5
[M+H-H2O]+ 317.14609 168.2
[M+HCOO]- 379.14703 193.7
[M+CH3COO]- 393.16268 208.3
[M+Na-2H]- 355.12350 176.7
[M]+ 334.14828 170.4
[M]- 334.14938 170.4
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.