CID 752642

618072-01-8

Structural Information

Molecular Formula
C13H15N3OS2
SMILES
CCN1C(=C(SC1=S)C(=O)NCC2=CC=CC=C2)N
InChI
InChI=1S/C13H15N3OS2/c1-2-16-11(14)10(19-13(16)18)12(17)15-8-9-6-4-3-5-7-9/h3-7H,2,8,14H2,1H3,(H,15,17)
InChIKey
OBOKCFHKXAENJD-UHFFFAOYSA-N
Compound name
4-amino-N-benzyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.06564 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.07292 164.5
[M+Na]+ 316.05486 174.4
[M+NH4]+ 311.09946 172.2
[M+K]+ 332.02880 166.4
[M-H]- 292.05836 168.3
[M+Na-2H]- 314.04031 169.7
[M]+ 293.06509 167.7
[M]- 293.06619 167.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.