CID 206017

73931-98-3

Structural Information

Molecular Formula

C₁₅H₁₉ClN₂O

SMILES

CC1=C(C(=C(C(=C1C(CN2C=CN=C2)O)C)C)Cl)C

InChI

InChI=1S/C15H19ClN2O/c1-9-11(3)15(16)12(4)10(2)14(9)13(19)7-18-6-5-17-8-18/h5-6,8,13,19H,7H2,1-4H3

InChIKey

VLWKZDMPYTZGCU-UHFFFAOYSA-N

Compound name

1-(4-chloro-2,3,5,6-tetramethylphenyl)-2-imidazol-1-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 278.1186 Da
Monoisotopic Mass: 2.9
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]+	279.125876	164.1
[M+Na]+	301.107818	174.8
[M-H]-	277.111324	167.7
[M+NH4]+	296.152423	180.5
[M+K]+	317.081758	169.0
[M+H-H2O]+	261.115860	157.1
[M+HCOO]-	323.116801	179.3
[M+CH3COO]-	337.132451	200.1
[M+Na-2H]-	299.093266	163.3
[M]+	278.11805142	168.2
[M]-	278.11914858	168.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe