CID 2060652

4-[(e)-(3,7-dioxo-6-phenyl-7h-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3h)-ylidene)methyl]phenyl acetate

Structural Information

Molecular Formula
C20H13N3O4S
SMILES
CC(=O)OC1=CC=C(C=C1)/C=C/2\C(=O)N3C(=NC(=O)C(=N3)C4=CC=CC=C4)S2
InChI
InChI=1S/C20H13N3O4S/c1-12(24)27-15-9-7-13(8-10-15)11-16-19(26)23-20(28-16)21-18(25)17(22-23)14-5-3-2-4-6-14/h2-11H,1H3/b16-11+
InChIKey
FQRSTLIIVJRPEF-LFIBNONCSA-N
Compound name
[4-[(E)-(3,7-dioxo-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.06268 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.06996 189.1
[M+Na]+ 414.05190 206.1
[M+NH4]+ 409.09650 195.2
[M+K]+ 430.02584 198.3
[M-H]- 390.05540 193.3
[M+Na-2H]- 412.03735 197.9
[M]+ 391.06213 193.2
[M]- 391.06323 193.2
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.