CID 30054

20231-01-0

Structural Information

Molecular Formula
C12H22N4S4
SMILES
CN1CCN(CC1)C(=S)SSC(=S)N2CCN(CC2)C
InChI
InChI=1S/C12H22N4S4/c1-13-3-7-15(8-4-13)11(17)19-20-12(18)16-9-5-14(2)6-10-16/h3-10H2,1-2H3
InChIKey
OOBDBFPYJXJEHC-UHFFFAOYSA-N
Compound name
(4-methylpiperazine-1-carbothioyl)sulfanyl 4-methylpiperazine-1-carbodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

23
Patents

350.07272 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.08000 170.0
[M+Na]+ 373.06194 174.3
[M-H]- 349.06544 167.3
[M+NH4]+ 368.10654 178.3
[M+K]+ 389.03588 165.3
[M+H-H2O]+ 333.06998 163.6
[M+HCOO]- 395.07092 159.0
[M+CH3COO]- 409.08657 174.7
[M+Na-2H]- 371.04739 165.1
[M]+ 350.07217 161.3
[M]- 350.07327 161.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe