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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09715 159.3
[M+Na]+ 287.07909 167.3
[M-H]- 263.08259 162.1
[M+NH4]+ 282.12369 174.1
[M+K]+ 303.05303 161.1
[M+H-H2O]+ 247.08713 151.1
[M+HCOO]- 309.08807 178.2
[M+CH3COO]- 323.10372 170.2
[M+Na-2H]- 285.06454 163.8
[M]+ 264.08932 157.9
[M]- 264.09042 157.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.