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]+ 423.112176 199.0
[M+Na]+ 445.094118 209.8
[M-H]- 421.097624 207.6
[M+NH4]+ 440.138723 209.9
[M+K]+ 461.068058 203.6
[M+H-H2O]+ 405.102160 190.4
[M+HCOO]- 467.103101 217.1
[M+CH3COO]- 481.118751 209.3
[M+Na-2H]- 443.079566 197.2
[M]+ 422.10435142 207.0
[M]- 422.10544858 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.