CID 44253415

Coh29

Structural Information

Molecular Formula
C22H16N2O5S
SMILES
C1=CC=C(C=C1)C2=C(N=C(S2)NC(=O)C3=CC(=C(C=C3)O)O)C4=CC(=C(C=C4)O)O
InChI
InChI=1S/C22H16N2O5S/c25-15-8-6-13(10-17(15)27)19-20(12-4-2-1-3-5-12)30-22(23-19)24-21(29)14-7-9-16(26)18(28)11-14/h1-11,25-28H,(H,23,24,29)
InChIKey
LGGDLPSXAGQFSG-UHFFFAOYSA-N
Compound name
N-[4-(3,4-dihydroxyphenyl)-5-phenyl-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

91
Patents

420.078 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.08528 198.0
[M+Na]+ 443.06722 211.3
[M+NH4]+ 438.11182 203.6
[M+K]+ 459.04116 205.6
[M-H]- 419.07072 203.8
[M+Na-2H]- 441.05267 206.3
[M]+ 420.07745 201.9
[M]- 420.07855 201.9
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