CID 5469

Tiaramide

Structural Information

Molecular Formula
C15H18ClN3O3S
SMILES
C1CN(CCN1CCO)C(=O)CN2C3=C(C=CC(=C3)Cl)SC2=O
InChI
InChI=1S/C15H18ClN3O3S/c16-11-1-2-13-12(9-11)19(15(22)23-13)10-14(21)18-5-3-17(4-6-18)7-8-20/h1-2,9,20H,3-8,10H2
InChIKey
HTJXMOGUGMSZOG-UHFFFAOYSA-N
Compound name
5-chloro-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

65
References

9921
Patents

355.07574 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.08302 178.8
[M+Na]+ 378.06496 191.4
[M+NH4]+ 373.10956 185.4
[M+K]+ 394.03890 184.7
[M-H]- 354.06846 179.9
[M+Na-2H]- 376.05041 182.5
[M]+ 355.07519 181.4
[M]- 355.07629 181.4
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