CID 752646

3-allyl-4-amino-5-[(4-methyl-1-piperazinyl)carbonyl]-1,3-thiazole-2(3h)-thione

Structural Information

Molecular Formula
C12H18N4OS2
SMILES
CN1CCN(CC1)C(=O)C2=C(N(C(=S)S2)CC=C)N
InChI
InChI=1S/C12H18N4OS2/c1-3-4-16-10(13)9(19-12(16)18)11(17)15-7-5-14(2)6-8-15/h3H,1,4-8,13H2,2H3
InChIKey
NJNYCORKGJMPCH-UHFFFAOYSA-N
Compound name
(4-amino-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

298.0922 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09948 168.3
[M+Na]+ 321.08142 177.0
[M+NH4]+ 316.12602 174.5
[M+K]+ 337.05536 169.9
[M-H]- 297.08492 169.5
[M+Na-2H]- 319.06687 170.0
[M]+ 298.09165 170.4
[M]- 298.09275 170.4
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

No patent data available for this compound.