CID 25703

Ewp 840

Structural Information

Molecular Formula
C14H26N4O2S4
SMILES
C1CN(CCN1CCO)C(=S)SSC(=S)N2CCN(CC2)CCO
InChI
InChI=1S/C14H26N4O2S4/c19-11-9-15-1-5-17(6-2-15)13(21)23-24-14(22)18-7-3-16(4-8-18)10-12-20/h19-20H,1-12H2
InChIKey
IKCDMZYMTQMERN-UHFFFAOYSA-N
Compound name
[4-(2-hydroxyethyl)piperazine-1-carbothioyl]sulfanyl 4-(2-hydroxyethyl)piperazine-1-carbodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

410.09387 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.10115 180.8
[M+Na]+ 433.08309 182.4
[M-H]- 409.08659 174.6
[M+NH4]+ 428.12769 185.1
[M+K]+ 449.05703 172.2
[M+H-H2O]+ 393.09113 174.7
[M+HCOO]- 455.09207 167.1
[M+CH3COO]- 469.10772 212.0
[M+Na-2H]- 431.06854 176.2
[M]+ 410.09332 171.9
[M]- 410.09442 171.9
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