CID 410052

1,4-bis(2-imidazolin-2-thio)butane dihydrobromide

Structural Information

Molecular Formula
C10H18N4S2
SMILES
C1CN=C(N1)SCCCCSC2=NCCN2
InChI
InChI=1S/C10H18N4S2/c1(7-15-9-11-3-4-12-9)2-8-16-10-13-5-6-14-10/h1-8H2,(H,11,12)(H,13,14)
InChIKey
CVEDHUHKTQSTLD-UHFFFAOYSA-N
Compound name
2-[4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)butylsulfanyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0973 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10458 154.0
[M+Na]+ 281.08652 161.8
[M-H]- 257.09002 152.8
[M+NH4]+ 276.13112 169.2
[M+K]+ 297.06046 156.8
[M+H-H2O]+ 241.09456 147.0
[M+HCOO]- 303.09550 160.9
[M+CH3COO]- 317.11115 163.6
[M+Na-2H]- 279.07197 150.4
[M]+ 258.09675 152.8
[M]- 258.09785 152.8
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.