CID 121552782

Dimethyl[(piperazine-1-sulfonyl)imino]-lambda6-sulfanone

Structural Information

Molecular Formula
C6H15N3O3S2
SMILES
CS(=NS(=O)(=O)N1CCNCC1)(=O)C
InChI
InChI=1S/C6H15N3O3S2/c1-13(2,10)8-14(11,12)9-5-3-7-4-6-9/h7H,3-6H2,1-2H3
InChIKey
JNKDVHCXMYEOJO-UHFFFAOYSA-N
Compound name
N-[dimethyl(oxo)-lambda6-sulfanylidene]piperazine-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.05548 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06276 151.8
[M+Na]+ 264.04470 157.9
[M-H]- 240.04820 151.5
[M+NH4]+ 259.08930 166.4
[M+K]+ 280.01864 154.1
[M+H-H2O]+ 224.05274 145.4
[M+HCOO]- 286.05368 158.8
[M+CH3COO]- 300.06933 185.3
[M+Na-2H]- 262.03015 155.3
[M]+ 241.05493 149.6
[M]- 241.05603 149.6
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.