CID 6270744

463366-94-1

Structural Information

Molecular Formula
C20H15N3O4S
SMILES
COC1=CC=CC(=C1OC)/C=C/2\C(=O)N3C(=NC(=O)C(=N3)C4=CC=CC=C4)S2
InChI
InChI=1S/C20H15N3O4S/c1-26-14-10-6-9-13(17(14)27-2)11-15-19(25)23-20(28-15)21-18(24)16(22-23)12-7-4-3-5-8-12/h3-11H,1-2H3/b15-11+
InChIKey
PZZWUUASOLCCHH-RVDMUPIBSA-N
Compound name
(2E)-2-[(2,3-dimethoxyphenyl)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

0
References

0
Patents

393.07834 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.08562 192.3
[M+Na]+ 416.06756 205.9
[M-H]- 392.07106 201.3
[M+NH4]+ 411.11216 203.3
[M+K]+ 432.04150 198.8
[M+H-H2O]+ 376.07560 182.6
[M+HCOO]- 438.07654 210.2
[M+CH3COO]- 452.09219 203.7
[M+Na-2H]- 414.05301 193.7
[M]+ 393.07779 201.2
[M]- 393.07889 201.2
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.