CID 361180

136994-87-1

Structural Information

Molecular Formula

C₁₅H₁₁ClN₂S

SMILES

C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C15H11ClN2S/c16-11-7-5-10(6-8-11)15-18-13-4-2-1-3-12(13)17-14(18)9-19-15/h1-8,15H,9H2

InChIKey

IKOAISDPONXJQG-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 286.03314 Da
Monoisotopic Mass: 4.1
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]+	287.040416	163.2
[M+Na]+	309.022358	176.8
[M-H]-	285.025864	170.7
[M+NH4]+	304.066963	184.2
[M+K]+	324.996298	169.9
[M+H-H2O]+	269.030400	157.0
[M+HCOO]-	331.031341	176.7
[M+CH3COO]-	345.046991	176.6
[M+Na-2H]-	307.007806	165.0
[M]+	286.03259142	169.1
[M]-	286.03368858	169.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.