CID 16429039

538340-83-9

Structural Information

Molecular Formula
C23H18N4O3S
SMILES
CCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C/4\C5=CC=CC=C5N(C4=O)CC=C)/SC3=N2
InChI
InChI=1S/C23H18N4O3S/c1-3-13-26-17-8-6-5-7-16(17)18(21(26)28)19-22(29)27-23(31-19)24-20(25-27)14-9-11-15(12-10-14)30-4-2/h3,5-12H,1,4,13H2,2H3/b19-18-
InChIKey
OWIXQBICDFOBMO-HNENSFHCSA-N
Compound name
(5Z)-2-(4-ethoxyphenyl)-5-(2-oxo-1-prop-2-enylindol-3-ylidene)-[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

430.10995 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.11723 203.8
[M+Na]+ 453.09917 218.6
[M+NH4]+ 448.14377 210.0
[M+K]+ 469.07311 214.1
[M-H]- 429.10267 207.3
[M+Na-2H]- 451.08462 208.5
[M]+ 430.10940 207.3
[M]- 430.11050 207.3
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.