CID 16429711

2-(4-{(e)-[2-(4-ethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6h)-ylidene]methyl}phenoxy)acetamide

Structural Information

Molecular Formula
C21H18N4O4S
SMILES
CCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=CC=C(C=C4)OCC(=O)N)/SC3=N2
InChI
InChI=1S/C21H18N4O4S/c1-2-28-15-9-5-14(6-10-15)19-23-21-25(24-19)20(27)17(30-21)11-13-3-7-16(8-4-13)29-12-18(22)26/h3-11H,2,12H2,1H3,(H2,22,26)/b17-11+
InChIKey
YWIJPQVVCZXMHE-GZTJUZNOSA-N
Compound name
2-[4-[(E)-[2-(4-ethoxyphenyl)-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

0
References

0
Patents

422.1049 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.11218 198.6
[M+Na]+ 445.09412 211.7
[M+NH4]+ 440.13872 203.8
[M+K]+ 461.06806 207.0
[M-H]- 421.09762 202.2
[M+Na-2H]- 443.07957 204.9
[M]+ 422.10435 201.7
[M]- 422.10545 201.7
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.