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]+ 306.072916 167.9
[M+Na]+ 328.054858 176.6
[M-H]- 304.058364 173.1
[M+NH4]+ 323.099463 183.6
[M+K]+ 344.028798 168.9
[M+H-H2O]+ 288.062900 160.7
[M+HCOO]- 350.063841 181.9
[M+CH3COO]- 364.079491 205.2
[M+Na-2H]- 326.040306 165.8
[M]+ 305.06509142 168.9
[M]- 305.06618858 168.9
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.