CID 79573

Nsc 5195

Structural Information

Molecular Formula
C12H22N4O2S2
SMILES
C1CN=C(N1)SCCOCCOCCSC2=NCCN2
InChI
InChI=1S/C12H22N4O2S2/c1-2-14-11(13-1)19-9-7-17-5-6-18-8-10-20-12-15-3-4-16-12/h1-10H2,(H,13,14)(H,15,16)
InChIKey
LVVNXEJGLLYPQJ-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethoxy]ethoxy]ethylsulfanyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1184 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.12568 170.3
[M+Na]+ 341.10762 176.9
[M+NH4]+ 336.15222 175.9
[M+K]+ 357.08156 171.4
[M-H]- 317.11112 169.4
[M+Na-2H]- 339.09307 171.4
[M]+ 318.11785 171.4
[M]- 318.11895 171.4
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.