CID 12297468

1-methyl-2-[(1-methyl-1h-imidazol-2-yl)disulfanyl]-1h-imidazole

Structural Information

Molecular Formula
C8H10N4S2
SMILES
CN1C=CN=C1SSC2=NC=CN2C
InChI
InChI=1S/C8H10N4S2/c1-11-5-3-9-7(11)13-14-8-10-4-6-12(8)2/h3-6H,1-2H3
InChIKey
VWGKCNYHKYTHBR-UHFFFAOYSA-N
Compound name
1-methyl-2-[(1-methylimidazol-2-yl)disulfanyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

226.03468 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04196 143.3
[M+Na]+ 249.02390 157.5
[M-H]- 225.02740 147.1
[M+NH4]+ 244.06850 161.9
[M+K]+ 264.99784 153.4
[M+H-H2O]+ 209.03194 136.8
[M+HCOO]- 271.03288 157.6
[M+CH3COO]- 285.04853 157.2
[M+Na-2H]- 247.00935 142.2
[M]+ 226.03413 149.8
[M]- 226.03523 149.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe