CID 136498076

904-60-9

Structural Information

Molecular Formula
C17H11Cl2N3OS
SMILES
C1=CC(=CC=C1/C=C/2\C(=O)N/C(=N\N=C\C3=CC=C(C=C3)Cl)/S2)Cl
InChI
InChI=1S/C17H11Cl2N3OS/c18-13-5-1-11(2-6-13)9-15-16(23)21-17(24-15)22-20-10-12-3-7-14(19)8-4-12/h1-10H,(H,21,22,23)/b15-9+,20-10+
InChIKey
QHEACMAFDHXZLA-SABIUBGXSA-N
Compound name
(2E,5E)-5-[(4-chlorophenyl)methylidene]-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.0 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.00728 188.5
[M+Na]+ 397.98922 198.1
[M-H]- 373.99272 197.8
[M+NH4]+ 393.03382 203.1
[M+K]+ 413.96316 188.9
[M+H-H2O]+ 357.99726 180.8
[M+HCOO]- 419.99820 199.4
[M+CH3COO]- 434.01385 198.7
[M+Na-2H]- 395.97467 187.0
[M]+ 374.99945 190.6
[M]- 375.00055 190.6
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.