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 192.8
[M+Na]+ 412.07262 205.7
[M-H]- 388.07612 201.1
[M+NH4]+ 407.11722 203.7
[M+K]+ 428.04656 197.1
[M+H-H2O]+ 372.08066 182.8
[M+HCOO]- 434.08160 210.4
[M+CH3COO]- 448.09725 203.6
[M+Na-2H]- 410.05807 194.1
[M]+ 389.08285 199.5
[M]- 389.08395 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.