CID 3056856

4-desoxypyridoxin-5-disulfid dihydrochlorid [german]

Structural Information

Molecular Formula
C16H20N2O2S2
SMILES
CC1=C(C(=NC=C1CSSCC2=CN=C(C(=C2C)O)C)C)O
InChI
InChI=1S/C16H20N2O2S2/c1-9-13(5-17-11(3)15(9)19)7-21-22-8-14-6-18-12(4)16(20)10(14)2/h5-6,19-20H,7-8H2,1-4H3
InChIKey
XWMRYFBDLKOLML-UHFFFAOYSA-N
Compound name
5-[[(5-hydroxy-4,6-dimethylpyridin-3-yl)methyldisulfanyl]methyl]-2,4-dimethylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.09662 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.10390 178.2
[M+Na]+ 359.08584 192.0
[M+NH4]+ 354.13044 185.4
[M+K]+ 375.05978 181.2
[M-H]- 335.08934 181.2
[M+Na-2H]- 357.07129 183.1
[M]+ 336.09607 182.1
[M]- 336.09717 182.1
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.