CID 16429043

606955-81-1

Structural Information

Molecular Formula
C19H13N3O3S
SMILES
CC1=NN2C(=O)/C(=C\C3=CC(=CC=C3)OC4=CC=CC=C4)/SC2=NC1=O
InChI
InChI=1S/C19H13N3O3S/c1-12-17(23)20-19-22(21-12)18(24)16(26-19)11-13-6-5-9-15(10-13)25-14-7-3-2-4-8-14/h2-11H,1H3/b16-11+
InChIKey
ZXQIAYPDLWTOQK-LFIBNONCSA-N
Compound name
(2E)-6-methyl-2-[(3-phenoxyphenyl)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

363.06775 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.07503 182.9
[M+Na]+ 386.05697 201.0
[M+NH4]+ 381.10157 190.2
[M+K]+ 402.03091 192.1
[M-H]- 362.06047 188.1
[M+Na-2H]- 384.04242 192.8
[M]+ 363.06720 187.6
[M]- 363.06830 187.6
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.