CID 16428927

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

Structural Information

Molecular Formula
C26H17FN4O3S
SMILES
COC1=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/C26H17FN4O3S/c1-34-17-12-10-15(11-13-17)23-28-26-31(29-23)25(33)22(35-26)21-18-7-3-5-9-20(18)30(24(21)32)14-16-6-2-4-8-19(16)27/h2-13H,14H2,1H3/b22-21-
InChIKey
MFOKSBLMIHSUOM-DQRAZIAOSA-N
Compound name
(5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(4-methoxyphenyl)-[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

484.10052 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.10780 215.6
[M+Na]+ 507.08974 231.7
[M+NH4]+ 502.13434 221.8
[M+K]+ 523.06368 226.5
[M-H]- 483.09324 220.6
[M+Na-2H]- 505.07519 222.4
[M]+ 484.09997 219.8
[M]- 484.10107 219.8
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.