CID 826313

Pyridoxiliden-pyridoxamin [german]

Structural Information

Molecular Formula
C16H19N3O4
SMILES
CC1=NC=C(C(=C1O)CN=CC2=C(C(=NC=C2CO)C)O)CO
InChI
InChI=1S/C16H19N3O4/c1-9-15(22)13(11(7-20)3-18-9)5-17-6-14-12(8-21)4-19-10(2)16(14)23/h3-5,20-23H,6-8H2,1-2H3
InChIKey
ADDANUZRAMQVBU-UHFFFAOYSA-N
Compound name
4-[[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylideneamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.13754 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.14482 176.6
[M+Na]+ 340.12676 189.1
[M+NH4]+ 335.17136 181.0
[M+K]+ 356.10070 183.9
[M-H]- 316.13026 177.8
[M+Na-2H]- 338.11221 181.2
[M]+ 317.13699 178.4
[M]- 317.13809 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

No patent data available for this compound.