CID 752650

3-allyl-4-amino-n-benzyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide

Structural Information

Molecular Formula
C14H15N3OS2
SMILES
C=CCN1C(=C(SC1=S)C(=O)NCC2=CC=CC=C2)N
InChI
InChI=1S/C14H15N3OS2/c1-2-8-17-12(15)11(20-14(17)19)13(18)16-9-10-6-4-3-5-7-10/h2-7H,1,8-9,15H2,(H,16,18)
InChIKey
DSNVUAYERRMHAT-UHFFFAOYSA-N
Compound name
4-amino-N-benzyl-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

305.06564 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.07292 168.6
[M+Na]+ 328.05486 178.3
[M+NH4]+ 323.09946 175.7
[M+K]+ 344.02880 169.9
[M-H]- 304.05836 172.1
[M+Na-2H]- 326.04031 173.4
[M]+ 305.06509 171.6
[M]- 305.06619 171.6
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.