CID 135458730

306321-30-2

Structural Information

Molecular Formula
C15H12ClN3O2S
SMILES
C1=COC(=C1)/C=N/N=C\2/NC(=O)C(S2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H12ClN3O2S/c16-11-5-3-10(4-6-11)8-13-14(20)18-15(22-13)19-17-9-12-2-1-7-21-12/h1-7,9,13H,8H2,(H,18,19,20)/b17-9+
InChIKey
XVIPLJFVHGDSII-RQZCQDPDSA-N
Compound name
(2Z)-5-[(4-chlorophenyl)methyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.03387 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.04115 178.6
[M+Na]+ 356.02309 187.7
[M-H]- 332.02659 189.8
[M+NH4]+ 351.06769 194.9
[M+K]+ 371.99703 182.4
[M+H-H2O]+ 316.03113 171.5
[M+HCOO]- 378.03207 195.5
[M+CH3COO]- 392.04772 190.5
[M+Na-2H]- 354.00854 177.8
[M]+ 333.03332 182.1
[M]- 333.03442 182.1
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.