CID 1886322

(5e)-5-(2h-chromen-3-ylmethylene)-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5h)-one

Structural Information

Molecular Formula
C23H19N3O3S
SMILES
CCCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=CC5=CC=CC=C5OC4)/SC3=N2
InChI
InChI=1S/C23H19N3O3S/c1-2-11-28-18-9-7-16(8-10-18)21-24-23-26(25-21)22(27)20(30-23)13-15-12-17-5-3-4-6-19(17)29-14-15/h3-10,12-13H,2,11,14H2,1H3/b20-13+
InChIKey
CJYNSVWFXBOOJR-DEDYPNTBSA-N
Compound name
(5E)-5-(2H-chromen-3-ylmethylidene)-2-(4-propoxyphenyl)-[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

417.11472 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.12200 197.5
[M+Na]+ 440.10394 214.3
[M+NH4]+ 435.14854 205.2
[M+K]+ 456.07788 207.0
[M-H]- 416.10744 204.1
[M+Na-2H]- 438.08939 204.5
[M]+ 417.11417 202.4
[M]- 417.11527 202.4
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.