CID 6373829

(5e)-5-benzylidene-2-(4-bromophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5h)-one

Structural Information

Molecular Formula
C17H10BrN3OS
SMILES
C1=CC=C(C=C1)/C=C/2\C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)Br)S2
InChI
InChI=1S/C17H10BrN3OS/c18-13-8-6-12(7-9-13)15-19-17-21(20-15)16(22)14(23-17)10-11-4-2-1-3-5-11/h1-10H/b14-10+
InChIKey
UTMDLJNGZLEKNH-GXDHUFHOSA-N
Compound name
(5E)-5-benzylidene-2-(4-bromophenyl)-[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

382.9728 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.98008 173.8
[M+Na]+ 405.96202 180.8
[M+NH4]+ 401.00662 178.7
[M+K]+ 421.93596 179.8
[M-H]- 381.96552 177.1
[M+Na-2H]- 403.94747 179.6
[M]+ 382.97225 175.1
[M]- 382.97335 175.1
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.