CID 5907191

Ccg-35759

Structural Information

Molecular Formula
C15H11ClNO2S2
SMILES
CC1=C(SC2=[N+]1C(=O)/C(=C/C3=CC=CC=C3Cl)/S2)C(=O)C
InChI
InChI=1S/C15H11ClNO2S2/c1-8-13(9(2)18)21-15-17(8)14(19)12(20-15)7-10-5-3-4-6-11(10)16/h3-7H,1-2H3/q+1/b12-7-
InChIKey
VOSPTOAMNUGYRV-GHXNOFRVSA-N
Compound name
(2Z)-6-acetyl-2-[(2-chlorophenyl)methylidene]-5-methyl-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.99197 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.99925 176.0
[M+Na]+ 358.98119 188.0
[M-H]- 334.98469 184.0
[M+NH4]+ 354.02579 195.2
[M+K]+ 374.95513 176.0
[M+H-H2O]+ 318.98923 174.9
[M+HCOO]- 380.99017 183.4
[M+CH3COO]- 395.00582 198.0
[M+Na-2H]- 356.96664 173.6
[M]+ 335.99142 181.0
[M]- 335.99252 181.0
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.