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 196.6
[M+Na]+ 430.08318 209.6
[M-H]- 406.08668 205.3
[M+NH4]+ 425.12778 207.0
[M+K]+ 446.05712 202.4
[M+H-H2O]+ 390.09122 186.7
[M+HCOO]- 452.09216 214.2
[M+CH3COO]- 466.10781 207.5
[M+Na-2H]- 428.06863 197.5
[M]+ 407.09341 205.8
[M]- 407.09451 205.8
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.