CID 16227828

1170915-85-1

Structural Information

Molecular Formula
C8H13N3O3S2
SMILES
CC1=C(SC(=O)N1)S(=O)(=O)N2CCNCC2
InChI
InChI=1S/C8H13N3O3S2/c1-6-7(15-8(12)10-6)16(13,14)11-4-2-9-3-5-11/h9H,2-5H2,1H3,(H,10,12)
InChIKey
GTIPEMJXYYUUTM-UHFFFAOYSA-N
Compound name
4-methyl-5-piperazin-1-ylsulfonyl-3H-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.03983 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.04711 156.6
[M+Na]+ 286.02905 165.1
[M-H]- 262.03255 156.6
[M+NH4]+ 281.07365 170.4
[M+K]+ 302.00299 159.4
[M+H-H2O]+ 246.03709 150.8
[M+HCOO]- 308.03803 161.9
[M+CH3COO]- 322.05368 183.5
[M+Na-2H]- 284.01450 155.6
[M]+ 263.03928 153.8
[M]- 263.04038 153.8
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.