CID 1636979

Thiazolo(2,3-c)-1,2,4-triazol-5(6h)-one, 6-((4-chlorophenyl)methylene)-3-phenyl-

Structural Information

Molecular Formula

C₁₇H₁₀ClN₃OS

SMILES

C1=CC=C(C=C1)C2=NN=C3N2C(=O)/C(=C\C4=CC=C(C=C4)Cl)/S3

InChI

InChI=1S/C17H10ClN3OS/c18-13-8-6-11(7-9-13)10-14-16(22)21-15(19-20-17(21)23-14)12-4-2-1-3-5-12/h1-10H/b14-10+

InChIKey

JZTVPEOAZRMXRO-GXDHUFHOSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 339.02332 Da
Monoisotopic Mass: 4.4
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]+	340.030596	177.8
[M+Na]+	362.012538	192.7
[M-H]-	338.016044	187.0
[M+NH4]+	357.057143	194.1
[M+K]+	377.986478	184.4
[M+H-H2O]+	322.020580	170.0
[M+HCOO]-	384.021521	192.7
[M+CH3COO]-	398.037171	190.6
[M+Na-2H]-	359.997986	177.9
[M]+	339.02277142	185.0
[M]-	339.02386858	185.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.