CID 3034247

14764-02-4

Structural Information

Molecular Formula
C12H22N6S2
SMILES
C1CN(C(=S)N1)CN2CCN(CC2)CN3CCNC3=S
InChI
InChI=1S/C12H22N6S2/c19-11-13-1-3-17(11)9-15-5-7-16(8-6-15)10-18-4-2-14-12(18)20/h1-10H2,(H,13,19)(H,14,20)
InChIKey
TZPIFQGYUOKWNB-UHFFFAOYSA-N
Compound name
1-[[4-[(2-sulfanylideneimidazolidin-1-yl)methyl]piperazin-1-yl]methyl]imidazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.13474 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.14202 171.2
[M+Na]+ 337.12396 178.1
[M+NH4]+ 332.16856 176.8
[M+K]+ 353.09790 173.1
[M-H]- 313.12746 171.3
[M+Na-2H]- 335.10941 171.5
[M]+ 314.13419 172.5
[M]- 314.13529 172.5
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.