CID 5939597

Salor-int l434132-1ea

Structural Information

Molecular Formula
C20H16N4O4S
SMILES
COC1=CC=C(C=C1)C2=NN3C(=O)/C(=C/C4=CC=C(C=C4)OCC(=O)N)/SC3=N2
InChI
InChI=1S/C20H16N4O4S/c1-27-14-8-4-13(5-9-14)18-22-20-24(23-18)19(26)16(29-20)10-12-2-6-15(7-3-12)28-11-17(21)25/h2-10H,11H2,1H3,(H2,21,25)/b16-10-
InChIKey
ICHVISPUCQPICG-YBEGLDIGSA-N
Compound name
2-[4-[(Z)-[2-(4-methoxyphenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]phenoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

408.08923 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.09651 194.3
[M+Na]+ 431.07845 207.7
[M+NH4]+ 426.12305 199.8
[M+K]+ 447.05239 203.2
[M-H]- 407.08195 198.0
[M+Na-2H]- 429.06390 200.9
[M]+ 408.08868 197.5
[M]- 408.08978 197.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.