CID 5900817

(2e)-2-[2-(allyloxy)benzylidene]-6-phenyl-7h-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2h)-dione

Structural Information

Molecular Formula
C21H15N3O3S
SMILES
C=CCOC1=CC=CC=C1/C=C/2\C(=O)N3C(=NC(=O)C(=N3)C4=CC=CC=C4)S2
InChI
InChI=1S/C21H15N3O3S/c1-2-12-27-16-11-7-6-10-15(16)13-17-20(26)24-21(28-17)22-19(25)18(23-24)14-8-4-3-5-9-14/h2-11,13H,1,12H2/b17-13+
InChIKey
MLRDGNBMIMQOPJ-GHRIWEEISA-N
Compound name
(2E)-6-phenyl-2-[(2-prop-2-enoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.0834 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.09068 191.0
[M+Na]+ 412.07262 208.6
[M+NH4]+ 407.11722 197.6
[M+K]+ 428.04656 199.1
[M-H]- 388.07612 195.7
[M+Na-2H]- 410.05807 200.2
[M]+ 389.08285 195.4
[M]- 389.08395 195.4
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.