CID 752653

3-allyl-4-amino-n-(4-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide

Structural Information

Molecular Formula
C14H15N3OS2
SMILES
CC1=CC=C(C=C1)NC(=O)C2=C(N(C(=S)S2)CC=C)N
InChI
InChI=1S/C14H15N3OS2/c1-3-8-17-12(15)11(20-14(17)19)13(18)16-10-6-4-9(2)5-7-10/h3-7H,1,8,15H2,2H3,(H,16,18)
InChIKey
QQXHSPHUXNQPMV-UHFFFAOYSA-N
Compound name
4-amino-N-(4-methylphenyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

305.06564 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.072916 168.0
[M+Na]+ 328.054858 177.4
[M-H]- 304.058364 173.5
[M+NH4]+ 323.099463 183.9
[M+K]+ 344.028798 169.7
[M+H-H2O]+ 288.062900 161.0
[M+HCOO]- 350.063841 181.9
[M+CH3COO]- 364.079491 206.4
[M+Na-2H]- 326.040306 165.2
[M]+ 305.06509142 169.4
[M]- 305.06618858 169.4
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.