CID 787429

5h-pyrrolo(1,2-a)imidazole, 2,2'-dithiobis(6,7-dihydro-

Structural Information

Molecular Formula
C12H14N4S2
SMILES
C1CC2=NC(=CN2C1)SSC3=CN4CCCC4=N3
InChI
InChI=1S/C12H14N4S2/c1-3-9-13-11(7-15(9)5-1)17-18-12-8-16-6-2-4-10(16)14-12/h7-8H,1-6H2
InChIKey
ZQQUBNXDJSIART-UHFFFAOYSA-N
Compound name
2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yldisulfanyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

278.06598 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.07326 160.1
[M+Na]+ 301.05520 174.1
[M-H]- 277.05870 166.6
[M+NH4]+ 296.09980 182.3
[M+K]+ 317.02914 171.9
[M+H-H2O]+ 261.06324 156.2
[M+HCOO]- 323.06418 173.2
[M+CH3COO]- 337.07983 173.5
[M+Na-2H]- 299.04065 155.7
[M]+ 278.06543 166.8
[M]- 278.06653 166.8
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

No patent data available for this compound.