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 147.2
[M+Na]+ 273.02390 157.2
[M-H]- 249.02740 148.4
[M+NH4]+ 268.06850 159.9
[M+K]+ 288.99784 150.7
[M+H-H2O]+ 233.03194 138.8
[M+HCOO]- 295.03288 157.6
[M+CH3COO]- 309.04853 158.2
[M+Na-2H]- 271.00935 151.9
[M]+ 250.03413 149.6
[M]- 250.03523 149.6
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.