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 199.2
[M+Na]+ 440.10394 211.4
[M-H]- 416.10744 209.3
[M+NH4]+ 435.14854 210.8
[M+K]+ 456.07788 205.3
[M+H-H2O]+ 400.11198 190.8
[M+HCOO]- 462.11292 214.6
[M+CH3COO]- 476.12857 209.9
[M+Na-2H]- 438.08939 198.7
[M]+ 417.11417 207.2
[M]- 417.11527 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.