CID 468635

Hexane, 3,4,5,6-tetrahydroxy-1,2-diisonicotinoylhydrazono

Structural Information

Molecular Formula
C18H24N6O6
SMILES
C1=CN=CC=C1C(=O)NNCC(C(C(C(CO)O)O)O)NNC(=O)C2=CC=NC=C2
InChI
InChI=1S/C18H24N6O6/c25-10-14(26)16(28)15(27)13(22-24-18(30)12-3-7-20-8-4-12)9-21-23-17(29)11-1-5-19-6-2-11/h1-8,13-16,21-22,25-28H,9-10H2,(H,23,29)(H,24,30)
InChIKey
UYMOJSHYDOGMQY-UHFFFAOYSA-N
Compound name
N'-[3,4,5,6-tetrahydroxy-2-[2-(pyridine-4-carbonyl)hydrazinyl]hexyl]pyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.17572 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.18300 189.0
[M+Na]+ 443.16494 186.4
[M-H]- 419.16844 187.1
[M+NH4]+ 438.20954 190.8
[M+K]+ 459.13888 185.9
[M+H-H2O]+ 403.17298 178.6
[M+HCOO]- 465.17392 203.5
[M+CH3COO]- 479.18957 227.9
[M+Na-2H]- 441.15039 190.2
[M]+ 420.17517 183.8
[M]- 420.17627 183.8
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.