CID 5939597

606958-15-0

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 194.8
[M+Na]+ 431.07845 206.1
[M-H]- 407.08195 203.7
[M+NH4]+ 426.12305 206.4
[M+K]+ 447.05239 200.1
[M+H-H2O]+ 391.08649 186.4
[M+HCOO]- 453.08743 213.3
[M+CH3COO]- 467.10308 205.5
[M+Na-2H]- 429.06390 193.5
[M]+ 408.08868 202.6
[M]- 408.08978 202.6
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.