CID 128440

103788-05-2

Structural Information

Molecular Formula
C22H20N2O5S
SMILES
CC1=C(N=C(O1)C2=CC=CC=C2)C(COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4)O
InChI
InChI=1S/C22H20N2O5S/c1-13-19(23-21(29-13)15-5-3-2-4-6-15)17(25)12-28-16-9-7-14(8-10-16)11-18-20(26)24-22(27)30-18/h2-10,17-18,25H,11-12H2,1H3,(H,24,26,27)
InChIKey
YVQKIDLSVHRBGZ-UHFFFAOYSA-N
Compound name
5-[[4-[2-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1145
Patents

424.10928 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.11656 198.6
[M+Na]+ 447.09850 205.7
[M-H]- 423.10200 208.1
[M+NH4]+ 442.14310 207.1
[M+K]+ 463.07244 201.2
[M+H-H2O]+ 407.10654 191.0
[M+HCOO]- 469.10748 211.1
[M+CH3COO]- 483.12313 207.5
[M+Na-2H]- 445.08395 193.1
[M]+ 424.10873 201.8
[M]- 424.10983 201.8
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