CID 2190431

(3z)-3-(2-(4-ethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6h)-ylidene)-1-(2-fluorobenzyl)-1,3-dihydro-2h-indol-2-one

Structural Information

Molecular Formula
C27H19FN4O3S
SMILES
CCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C/4\C5=CC=CC=C5N(C4=O)CC6=CC=CC=C6F)/SC3=N2
InChI
InChI=1S/C27H19FN4O3S/c1-2-35-18-13-11-16(12-14-18)24-29-27-32(30-24)26(34)23(36-27)22-19-8-4-6-10-21(19)31(25(22)33)15-17-7-3-5-9-20(17)28/h3-14H,2,15H2,1H3/b23-22-
InChIKey
LKAUYQJWQLYHHO-FCQUAONHSA-N
Compound name
(5Z)-2-(4-ethoxyphenyl)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-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

498.11618 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.12346 219.8
[M+Na]+ 521.10540 235.7
[M+NH4]+ 516.15000 225.8
[M+K]+ 537.07934 230.3
[M-H]- 497.10890 224.7
[M+Na-2H]- 519.09085 226.3
[M]+ 498.11563 223.9
[M]- 498.11673 223.9
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.