CID 362623

136994-92-8

Structural Information

Molecular Formula

C₁₅H₁₂N₂OS

SMILES

C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=CC=C4)O

InChI

InChI=1S/C15H12N2OS/c18-11-5-3-4-10(8-11)15-17-13-7-2-1-6-12(13)16-14(17)9-19-15/h1-8,15,18H,9H2

InChIKey

YVSMVNPXTNBYHV-UHFFFAOYSA-N

Compound name

3-(1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazol-1-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 268.06705 Da
Monoisotopic Mass: 3.1
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]+	269.074326	157.8
[M+Na]+	291.056268	170.1
[M-H]-	267.059774	164.3
[M+NH4]+	286.100873	178.0
[M+K]+	307.030208	164.4
[M+H-H2O]+	251.064310	151.9
[M+HCOO]-	313.065251	174.9
[M+CH3COO]-	327.080901	171.0
[M+Na-2H]-	289.041716	160.3
[M]+	268.06650142	161.5
[M]-	268.06759858	161.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.