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 169.6
[M+Na]+ 328.05486 179.7
[M+NH4]+ 323.09946 176.8
[M+K]+ 344.02880 171.5
[M-H]- 304.05836 173.2
[M+Na-2H]- 326.04031 174.1
[M]+ 305.06509 172.7
[M]- 305.06619 172.7
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.