CID 135889837

4'-formyl-3-methylthio-1,1'-(oxydimethylene)dipyridinium dichloride oxime

Structural Information

Molecular Formula
C14H17N3O2S
SMILES
CSC1=C[N+](=CC=C1)COC[N+]2=CC=C(C=C2)/C=N/O
InChI
InChI=1S/C14H16N3O2S/c1-20-14-3-2-6-17(10-14)12-19-11-16-7-4-13(5-8-16)9-15-18/h2-10H,11-12H2,1H3/q+1/p+1
InChIKey
SDBGOLGMZVUJIT-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-[(3-methylsulfanylpyridin-1-ium-1-yl)methoxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.10416 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11144 159.3
[M+Na]+ 314.09338 176.7
[M+NH4]+ 309.13798 168.9
[M+K]+ 330.06732 168.6
[M-H]- 290.09688 166.4
[M+Na-2H]- 312.07883 169.7
[M]+ 291.10361 164.9
[M]- 291.10471 164.9
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.