CID 1555804

23983-07-5

Structural Information

Molecular Formula

C₁₆H₁₀N₂O₂S

SMILES

C1=CC=C2C(=C1)N=C3N2C(=O)/C(=C\C4=CC=C(C=C4)O)/S3

InChI

InChI=1S/C16H10N2O2S/c19-11-7-5-10(6-8-11)9-14-15(20)18-13-4-2-1-3-12(13)17-16(18)21-14/h1-9,19H/b14-9+

InChIKey

RBMUOGXDCNEOTH-NTEUORMPSA-N

Compound name

(2E)-2-[(4-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 294.0463 Da
Monoisotopic Mass: 3.7
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]+	295.053576	165.1
[M+Na]+	317.035518	180.1
[M-H]-	293.039024	172.7
[M+NH4]+	312.080123	184.5
[M+K]+	333.009458	173.1
[M+H-H2O]+	277.043560	159.3
[M+HCOO]-	339.044501	185.0
[M+CH3COO]-	353.060151	179.0
[M+Na-2H]-	315.020966	168.2
[M]+	294.04575142	172.1
[M]-	294.04684858	172.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.