CID 3088804

Bis(4-methylpyrimidine)disulphide dihydrochloride

Structural Information

Molecular Formula
C10H10N4S2
SMILES
C1=CN=CN=C1CSSCC2=NC=NC=C2
InChI
InChI=1S/C10H10N4S2/c1-3-11-7-13-9(1)5-15-16-6-10-2-4-12-8-14-10/h1-4,7-8H,5-6H2
InChIKey
FVNCXJZYBBPJIQ-UHFFFAOYSA-N
Compound name
4-[(pyrimidin-4-ylmethyldisulfanyl)methyl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.03468 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.04196 148.3
[M+Na]+ 273.02390 163.0
[M+NH4]+ 268.06850 156.8
[M+K]+ 288.99784 151.5
[M-H]- 249.02740 151.6
[M+Na-2H]- 271.00935 157.2
[M]+ 250.03413 152.3
[M]- 250.03523 152.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.