CID 1545967

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

Structural Information

Molecular Formula
C16H19N3O2S2
SMILES
COC1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)N3CCCCC3)N
InChI
InChI=1S/C16H19N3O2S2/c1-21-12-7-5-11(6-8-12)19-14(17)13(23-16(19)22)15(20)18-9-3-2-4-10-18/h5-8H,2-4,9-10,17H2,1H3
InChIKey
YZAGMTRCTOMDGU-UHFFFAOYSA-N
Compound name
[4-amino-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.09186 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.09914 178.4
[M+Na]+ 372.08108 186.1
[M-H]- 348.08458 184.8
[M+NH4]+ 367.12568 191.1
[M+K]+ 388.05502 179.4
[M+H-H2O]+ 332.08912 170.8
[M+HCOO]- 394.09006 187.4
[M+CH3COO]- 408.10571 187.8
[M+Na-2H]- 370.06653 174.2
[M]+ 349.09131 177.6
[M]- 349.09241 177.6
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.