CID 2187510

Brn 1222534

Structural Information

Molecular Formula
C16H19N3OS2
SMILES
CC1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)N3CCCCC3)N
InChI
InChI=1S/C16H19N3OS2/c1-11-5-7-12(8-6-11)19-14(17)13(22-16(19)21)15(20)18-9-3-2-4-10-18/h5-8H,2-4,9-10,17H2,1H3
InChIKey
BFXQLVOIGMTRRF-UHFFFAOYSA-N
Compound name
[4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

333.09695 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.10423 173.2
[M+Na]+ 356.08617 184.4
[M+NH4]+ 351.13077 181.2
[M+K]+ 372.06011 175.9
[M-H]- 332.08967 178.2
[M+Na-2H]- 354.07162 179.1
[M]+ 333.09640 177.0
[M]- 333.09750 177.0
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.