CID 69726682

5-(2,4-dihydroxybenzylidene)-2-(phenylimino)-1,3-thiazolidin

Structural Information

Molecular Formula
C16H14N2O2S
SMILES
C1C(=CC2=C(C=C(C=C2)O)O)SC(=N1)NC3=CC=CC=C3
InChI
InChI=1S/C16H14N2O2S/c19-13-7-6-11(15(20)9-13)8-14-10-17-16(21-14)18-12-4-2-1-3-5-12/h1-9,19-20H,10H2,(H,17,18)
InChIKey
PQZRSOBOURPVPJ-UHFFFAOYSA-N
Compound name
4-[(2-anilino-4H-1,3-thiazol-5-ylidene)methyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

298.0776 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.08488 167.5
[M+Na]+ 321.06682 180.2
[M+NH4]+ 316.11142 175.5
[M+K]+ 337.04076 172.8
[M-H]- 297.07032 172.8
[M+Na-2H]- 319.05227 175.8
[M]+ 298.07705 171.2
[M]- 298.07815 171.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.