CID 13062918

15441-11-9

Structural Information

Molecular Formula

C₁₇H₁₄N₂O₂

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)N3C=CN=C3)O

InChI

InChI=1S/C17H14N2O2/c20-16(19-12-11-18-13-19)17(21,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,21H

InChIKey

QPSFATQUKFVNRT-UHFFFAOYSA-N

Compound name

2-hydroxy-1-imidazol-1-yl-2,2-diphenylethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
Patents: 278.10553 Da
Monoisotopic Mass: 2.4
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]+	279.112806	163.7
[M+Na]+	301.094748	170.0
[M-H]-	277.098254	169.5
[M+NH4]+	296.139353	177.0
[M+K]+	317.068688	165.3
[M+H-H2O]+	261.102790	154.5
[M+HCOO]-	323.103731	183.0
[M+CH3COO]-	337.119381	174.5
[M+Na-2H]-	299.080196	169.1
[M]+	278.10498142	162.0
[M]-	278.10607858	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe