CID 473749

Chembl415680

Structural Information

Molecular Formula
C15H13ClN2OS2
SMILES
C1CSC(=C(C(=O)C2=CC=C(C=C2)Cl)N3C=CN=C3)SC1
InChI
InChI=1S/C15H13ClN2OS2/c16-12-4-2-11(3-5-12)14(19)13(18-7-6-17-10-18)15-20-8-1-9-21-15/h2-7,10H,1,8-9H2
InChIKey
RSNPSAOFCQBKJM-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-(1,3-dithian-2-ylidene)-2-imidazol-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.01578 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.02306 172.6
[M+Na]+ 359.00500 179.8
[M-H]- 335.00850 179.2
[M+NH4]+ 354.04960 186.6
[M+K]+ 374.97894 173.0
[M+H-H2O]+ 319.01304 165.6
[M+HCOO]- 381.01398 176.1
[M+CH3COO]- 395.02963 182.1
[M+Na-2H]- 356.99045 169.2
[M]+ 336.01523 171.9
[M]- 336.01633 171.9
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.