CID 3034247

2-imidazolidinethione, 1,1'-[1,4-piperazinediylbis(methylene)]bis-

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 172.7
[M+Na]+ 337.12396 179.1
[M-H]- 313.12746 171.4
[M+NH4]+ 332.16856 182.7
[M+K]+ 353.09790 172.6
[M+H-H2O]+ 297.13200 165.1
[M+HCOO]- 359.13294 171.5
[M+CH3COO]- 373.14859 179.2
[M+Na-2H]- 335.10941 163.2
[M]+ 314.13419 164.3
[M]- 314.13529 164.3
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.