CID 3077693

Disulfide, bis((4-(2-hydroxyethyl)-1-piperidinyl)thioxomethyl)

Structural Information

Molecular Formula
C16H28N2O2S4
SMILES
C1CN(CCC1CCO)C(=S)SSC(=S)N2CCC(CC2)CCO
InChI
InChI=1S/C16H28N2O2S4/c19-11-5-13-1-7-17(8-2-13)15(21)23-24-16(22)18-9-3-14(4-10-18)6-12-20/h13-14,19-20H,1-12H2
InChIKey
VKESLYOEWAYNEH-UHFFFAOYSA-N
Compound name
[4-(2-hydroxyethyl)piperidine-1-carbothioyl]sulfanyl 4-(2-hydroxyethyl)piperidine-1-carbodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

408.10336 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.11064 184.3
[M+Na]+ 431.09258 184.6
[M-H]- 407.09608 180.0
[M+NH4]+ 426.13718 190.9
[M+K]+ 447.06652 174.3
[M+H-H2O]+ 391.10062 178.1
[M+HCOO]- 453.10156 171.7
[M+CH3COO]- 467.11721 212.2
[M+Na-2H]- 429.07803 179.2
[M]+ 408.10281 175.2
[M]- 408.10391 175.2
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

patents stripe