CID 1300451

(2z)-2-(4-ethoxy-3-methoxybenzylidene)-6-phenyl-7h-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2h)-dione

Structural Information

Molecular Formula
C21H17N3O4S
SMILES
CCOC1=C(C=C(C=C1)/C=C\2/C(=O)N3C(=NC(=O)C(=N3)C4=CC=CC=C4)S2)OC
InChI
InChI=1S/C21H17N3O4S/c1-3-28-15-10-9-13(11-16(15)27-2)12-17-20(26)24-21(29-17)22-19(25)18(23-24)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3/b17-12-
InChIKey
XXIGCRSSAYPTAQ-ATVHPVEESA-N
Compound name
(2Z)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

407.09396 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.10124 195.9
[M+Na]+ 430.08318 213.3
[M+NH4]+ 425.12778 202.2
[M+K]+ 446.05712 204.6
[M-H]- 406.08668 200.5
[M+Na-2H]- 428.06863 204.4
[M]+ 407.09341 200.3
[M]- 407.09451 200.3
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.