CID 2313649

95356-74-4

Structural Information

Molecular Formula

C₁₁H₇N₃OS

SMILES

C1=CC=C(C=C1)/C=C/2\C(=O)N3C=NN=C3S2

InChI

InChI=1S/C11H7N3OS/c15-10-9(6-8-4-2-1-3-5-8)16-11-13-12-7-14(10)11/h1-7H/b9-6+

InChIKey

KZZORRRBJWSMGF-RMKNXTFCSA-N

Compound name

(6E)-6-benzylidene-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 229.03099 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	230.038266	147.4
[M+Na]+	252.020208	161.4
[M-H]-	228.023714	153.4
[M+NH4]+	247.064813	167.4
[M+K]+	267.994148	156.4
[M+H-H2O]+	212.028250	140.6
[M+HCOO]-	274.029191	167.8
[M+CH3COO]-	288.044841	161.9
[M+Na-2H]-	250.005656	150.5
[M]+	229.03044142	152.5
[M]-	229.03153858	152.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.