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]+ 418.121996 199.2
[M+Na]+ 440.103938 211.4
[M-H]- 416.107444 209.3
[M+NH4]+ 435.148543 210.8
[M+K]+ 456.077878 205.3
[M+H-H2O]+ 400.111980 190.8
[M+HCOO]- 462.112921 214.6
[M+CH3COO]- 476.128571 209.9
[M+Na-2H]- 438.089386 198.7
[M]+ 417.11417142 207.2
[M]- 417.11526858 207.2
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.