CID 3041044

Inhasan

Structural Information

Molecular Formula
C14H20N4O6
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1NNC(=O)C2=CC=NC=C2)CO)O)O
InChI
InChI=1S/C14H20N4O6/c1-7(20)16-10-12(22)11(21)9(6-19)24-14(10)18-17-13(23)8-2-4-15-5-3-8/h2-5,9-12,14,18-19,21-22H,6H2,1H3,(H,16,20)(H,17,23)/t9-,10-,11-,12-,14?/m1/s1
InChIKey
HROQIODYWLZFIZ-WJVRHOARSA-N
Compound name
N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(pyridine-4-carbonyl)hydrazinyl]oxan-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

340.13828 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14556 178.2
[M+Na]+ 363.12750 183.8
[M+NH4]+ 358.17210 180.6
[M+K]+ 379.10144 183.0
[M-H]- 339.13100 179.5
[M+Na-2H]- 361.11295 178.8
[M]+ 340.13773 178.4
[M]- 340.13883 178.4
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

patents stripe