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
2
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]+ 315.142016 172.7
[M+Na]+ 337.123958 179.1
[M-H]- 313.127464 171.4
[M+NH4]+ 332.168563 182.7
[M+K]+ 353.097898 172.6
[M+H-H2O]+ 297.132000 165.1
[M+HCOO]- 359.132941 171.5
[M+CH3COO]- 373.148591 179.2
[M+Na-2H]- 335.109406 163.2
[M]+ 314.13419142 164.3
[M]- 314.13528858 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.