CID 11729024

168567-90-6

Structural Information

Molecular Formula
C15H18N4O9
SMILES
CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@](O1)(C#N)N=[N+]=[N-])OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C15H18N4O9/c1-7(20)24-5-11-12(25-8(2)21)13(26-9(3)22)14(27-10(4)23)15(6-16,28-11)18-19-17/h11-14H,5H2,1-4H3/t11-,12+,13+,14-,15-/m1/s1
InChIKey
AEIYXWZYBCMANA-GZBLMMOJSA-N
Compound name
[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-azido-6-cyanooxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

398.1074 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.11468 184.3
[M+Na]+ 421.09662 189.9
[M-H]- 397.10012 189.4
[M+NH4]+ 416.14122 240.7
[M+K]+ 437.07056 188.4
[M+H-H2O]+ 381.10466 175.4
[M+HCOO]- 443.10560 245.4
[M+CH3COO]- 457.12125 230.0
[M+Na-2H]- 419.08207 187.0
[M]+ 398.10685 183.3
[M]- 398.10795 183.3
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