CID 9574916

N-(1-aza-3,4,5,6,7-pentahydroxyhept-1-enyl)-4-piperidylcarboxamide

Structural Information

Molecular Formula
C12H23N3O6
SMILES
C1CNCCC1C(=O)N/N=C/C(C(C(C(CO)O)O)O)O
InChI
InChI=1S/C12H23N3O6/c16-6-9(18)11(20)10(19)8(17)5-14-15-12(21)7-1-3-13-4-2-7/h5,7-11,13,16-20H,1-4,6H2,(H,15,21)/b14-5+
InChIKey
DYRFNTVXEZGPPF-LHHJGKSTSA-N
Compound name
N-[(E)-2,3,4,5,6-pentahydroxyhexylideneamino]piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.1587 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.16598 168.8
[M+Na]+ 328.14792 166.9
[M-H]- 304.15142 162.4
[M+NH4]+ 323.19252 177.0
[M+K]+ 344.12186 166.0
[M+H-H2O]+ 288.15596 161.6
[M+HCOO]- 350.15690 178.0
[M+CH3COO]- 364.17255 198.0
[M+Na-2H]- 326.13337 165.4
[M]+ 305.15815 159.2
[M]- 305.15925 159.2
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

No patent data available for this compound.