CID 5704241

58755-07-0

Structural Information

Molecular Formula
C17H11N3OS
SMILES
C1=CC=C(C=C1)/C=C/2\C(=O)N3C(=NC(=N3)C4=CC=CC=C4)S2
InChI
InChI=1S/C17H11N3OS/c21-16-14(11-12-7-3-1-4-8-12)22-17-18-15(19-20(16)17)13-9-5-2-6-10-13/h1-11H/b14-11+
InChIKey
VEBNZNYQRULYBZ-SDNWHVSQSA-N
Compound name
(5E)-5-benzylidene-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.0623 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.06958 167.6
[M+Na]+ 328.05152 184.4
[M+NH4]+ 323.09612 176.4
[M+K]+ 344.02546 177.1
[M-H]- 304.05502 173.0
[M+Na-2H]- 326.03697 177.6
[M]+ 305.06175 172.2
[M]- 305.06285 172.2
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.