CID 866379

3-allyl-4-amino-5-(1-piperidinylcarbonyl)-1,3-thiazole-2(3h)-thione

Structural Information

Molecular Formula
C12H17N3OS2
SMILES
C=CCN1C(=C(SC1=S)C(=O)N2CCCCC2)N
InChI
InChI=1S/C12H17N3OS2/c1-2-6-15-10(13)9(18-12(15)17)11(16)14-7-4-3-5-8-14/h2H,1,3-8,13H2
InChIKey
OQUMCCVSKGJWBH-UHFFFAOYSA-N
Compound name
(4-amino-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.0813 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.08858 163.0
[M+Na]+ 306.07052 170.5
[M-H]- 282.07402 166.1
[M+NH4]+ 301.11512 178.5
[M+K]+ 322.04446 164.2
[M+H-H2O]+ 266.07856 156.1
[M+HCOO]- 328.07950 171.4
[M+CH3COO]- 342.09515 198.1
[M+Na-2H]- 304.05597 158.2
[M]+ 283.08075 160.6
[M]- 283.08185 160.6
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.