CID 9542285

(5e)-5-(2,4-dimethoxybenzylidene)-2-(4-isopropoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5h)-one

Structural Information

Molecular Formula
C22H21N3O4S
SMILES
CC(C)OC1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=C(C=C(C=C4)OC)OC)/SC3=N2
InChI
InChI=1S/C22H21N3O4S/c1-13(2)29-16-8-5-14(6-9-16)20-23-22-25(24-20)21(26)19(30-22)11-15-7-10-17(27-3)12-18(15)28-4/h5-13H,1-4H3/b19-11+
InChIKey
QFMFVWXDOLHXKN-YBFXNURJSA-N
Compound name
(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.12527 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.13255 201.0
[M+Na]+ 446.11449 215.8
[M+NH4]+ 441.15909 207.0
[M+K]+ 462.08843 210.4
[M-H]- 422.11799 204.8
[M+Na-2H]- 444.09994 207.4
[M]+ 423.12472 204.7
[M]- 423.12582 204.7
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.