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

1
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 166.4
[M+Na]+ 321.06682 174.3
[M-H]- 297.07032 172.9
[M+NH4]+ 316.11142 181.1
[M+K]+ 337.04076 167.4
[M+H-H2O]+ 281.07486 158.9
[M+HCOO]- 343.07580 183.4
[M+CH3COO]- 357.09145 177.3
[M+Na-2H]- 319.05227 167.4
[M]+ 298.07705 164.9
[M]- 298.07815 164.9
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

patents stripe