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]+ 390.090676 192.8
[M+Na]+ 412.072618 205.7
[M-H]- 388.076124 201.1
[M+NH4]+ 407.117223 203.7
[M+K]+ 428.046558 197.1
[M+H-H2O]+ 372.080660 182.8
[M+HCOO]- 434.081601 210.4
[M+CH3COO]- 448.097251 203.6
[M+Na-2H]- 410.058066 194.1
[M]+ 389.08285142 199.5
[M]- 389.08394858 199.5
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.