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 199.0
[M+Na]+ 445.09412 209.8
[M-H]- 421.09762 207.6
[M+NH4]+ 440.13872 209.9
[M+K]+ 461.06806 203.6
[M+H-H2O]+ 405.10216 190.4
[M+HCOO]- 467.10310 217.1
[M+CH3COO]- 481.11875 209.3
[M+Na-2H]- 443.07957 197.2
[M]+ 422.10435 207.0
[M]- 422.10545 207.0
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.