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]+ 306.07292 168.0
[M+Na]+ 328.05486 177.4
[M-H]- 304.05836 173.5
[M+NH4]+ 323.09946 183.9
[M+K]+ 344.02880 169.7
[M+H-H2O]+ 288.06290 161.0
[M+HCOO]- 350.06384 181.9
[M+CH3COO]- 364.07949 206.4
[M+Na-2H]- 326.04031 165.2
[M]+ 305.06509 169.4
[M]- 305.06619 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.