CID 1975693

609794-93-6

Structural Information

Molecular Formula
C21H17N3O3S
SMILES
CCCOC1=CC=CC=C1/C=C\2/C(=O)N3C(=NC(=O)C(=N3)C4=CC=CC=C4)S2
InChI
InChI=1S/C21H17N3O3S/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/h3-11,13H,2,12H2,1H3/b17-13-
InChIKey
YSJVGLDTMWPBON-LGMDPLHJSA-N
Compound name
(2Z)-6-phenyl-2-[(2-propoxyphenyl)methylidene]-[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

391.09906 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.10634 193.2
[M+Na]+ 414.08828 205.8
[M-H]- 390.09178 201.5
[M+NH4]+ 409.13288 204.1
[M+K]+ 430.06222 197.8
[M+H-H2O]+ 374.09632 183.2
[M+HCOO]- 436.09726 210.6
[M+CH3COO]- 450.11291 204.0
[M+Na-2H]- 412.07373 194.5
[M]+ 391.09851 200.6
[M]- 391.09961 200.6
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.