CID 6448447

Brn 4492069

Structural Information

Molecular Formula

C₁₇H₁₂N₂OS

SMILES

CC1=CC(=CC=C1)/C=C/2\C(=O)N3C4=CC=CC=C4N=C3S2

InChI

InChI=1S/C17H12N2OS/c1-11-5-4-6-12(9-11)10-15-16(20)19-14-8-3-2-7-13(14)18-17(19)21-15/h2-10H,1H3/b15-10+

InChIKey

JECWNODXJNCAAO-XNTDXEJSSA-N

Compound name

(2E)-2-[(3-methylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 292.06705 Da
Monoisotopic Mass: 4.5
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]+	293.074326	166.6
[M+Na]+	315.056268	182.0
[M-H]-	291.059774	175.3
[M+NH4]+	310.100873	186.9
[M+K]+	331.030208	174.9
[M+H-H2O]+	275.064310	160.3
[M+HCOO]-	337.065251	187.5
[M+CH3COO]-	351.080901	180.9
[M+Na-2H]-	313.041716	169.2
[M]+	292.06650142	174.3
[M]-	292.06759858	174.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.