CID 5743214

(z)-3-(1h-benzimidazol-2-yl)-3-hydroxy-1-phenyl-prop-2-en-1-one

Structural Information

Molecular Formula

C₁₆H₁₂N₂O₂

SMILES

C1=CC=C(C=C1)/C(=C/C(=O)C2=NC3=CC=CC=C3N2)/O

InChI

InChI=1S/C16H12N2O2/c19-14(11-6-2-1-3-7-11)10-15(20)16-17-12-8-4-5-9-13(12)18-16/h1-10,19H,(H,17,18)/b14-10-

InChIKey

ZPATWVKDEDFWBR-UVTDQMKNSA-N

Compound name

(Z)-1-(1H-benzimidazol-2-yl)-3-hydroxy-3-phenylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 264.08987 Da
Monoisotopic Mass: 3.6
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]+	265.097146	159.3
[M+Na]+	287.079088	167.3
[M-H]-	263.082594	162.1
[M+NH4]+	282.123693	174.1
[M+K]+	303.053028	161.1
[M+H-H2O]+	247.087130	151.1
[M+HCOO]-	309.088071	178.2
[M+CH3COO]-	323.103721	170.2
[M+Na-2H]-	285.064536	163.8
[M]+	264.08932142	157.9
[M]-	264.09041858	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.