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 167.3
[M+Na]+ 341.10762 173.4
[M-H]- 317.11112 165.6
[M+NH4]+ 336.15222 179.8
[M+K]+ 357.08156 168.9
[M+H-H2O]+ 301.11566 159.8
[M+HCOO]- 363.11660 173.9
[M+CH3COO]- 377.13225 194.0
[M+Na-2H]- 339.09307 163.4
[M]+ 318.11785 169.2
[M]- 318.11895 169.2
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.