CID 7942508

80490-80-8

Structural Information

Molecular Formula
C14H28N4S2
SMILES
CCCCNC(=S)N1CCN(CC1)C(=S)NCCCC
InChI
InChI=1S/C14H28N4S2/c1-3-5-7-15-13(19)17-9-11-18(12-10-17)14(20)16-8-6-4-2/h3-12H2,1-2H3,(H,15,19)(H,16,20)
InChIKey
KDEPUXJLUAVPAH-UHFFFAOYSA-N
Compound name
1-N,4-N-dibutylpiperazine-1,4-dicarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.17554 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.182816 173.0
[M+Na]+ 339.164758 174.8
[M-H]- 315.168264 171.5
[M+NH4]+ 334.209363 184.9
[M+K]+ 355.138698 169.1
[M+H-H2O]+ 299.172800 164.7
[M+HCOO]- 361.173741 178.2
[M+CH3COO]- 375.189391 209.1
[M+Na-2H]- 337.150206 169.3
[M]+ 316.17499142 170.3
[M]- 316.17608858 170.3
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.