CID 135766038

5-(9-anthrylmethylene)-2-[(4-hydroxyphenyl)imino]-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C24H16N2O2S
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C=C/4\C(=O)NC(=NC5=CC=C(C=C5)O)S4
InChI
InChI=1S/C24H16N2O2S/c27-18-11-9-17(10-12-18)25-24-26-23(28)22(29-24)14-21-19-7-3-1-5-15(19)13-16-6-2-4-8-20(16)21/h1-14,27H,(H,25,26,28)/b22-14+
InChIKey
HHOGSADXOPJNBT-HYARGMPZSA-N
Compound name
(5E)-5-(anthracen-9-ylmethylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.09326 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.10054 192.1
[M+Na]+ 419.08248 201.8
[M-H]- 395.08598 201.5
[M+NH4]+ 414.12708 205.3
[M+K]+ 435.05642 192.4
[M+H-H2O]+ 379.09052 183.6
[M+HCOO]- 441.09146 207.6
[M+CH3COO]- 455.10711 201.9
[M+Na-2H]- 417.06793 194.4
[M]+ 396.09271 192.2
[M]- 396.09381 192.2
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.