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-methyl-4-pyridinyl]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]+ 318.144816 175.8
[M+Na]+ 340.126758 184.7
[M-H]- 316.130264 177.1
[M+NH4]+ 335.171363 186.0
[M+K]+ 356.100698 179.4
[M+H-H2O]+ 300.134800 167.2
[M+HCOO]- 362.135741 194.2
[M+CH3COO]- 376.151391 205.8
[M+Na-2H]- 338.112206 177.5
[M]+ 317.13699142 177.6
[M]- 317.13808858 177.6
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.