CID 474014

178979-95-8

Structural Information

Molecular Formula

C₁₅H₁₉ClN₂O

SMILES

CC(C)C1=C(N(C(=N1)CO)C)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C15H19ClN2O/c1-10(2)15-13(18(3)14(9-19)17-15)8-11-5-4-6-12(16)7-11/h4-7,10,19H,8-9H2,1-3H3

InChIKey

IQWXUDXSXROYCG-UHFFFAOYSA-N

Compound name

[5-[(3-chlorophenyl)methyl]-1-methyl-4-propan-2-ylimidazol-2-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
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	164.5
[M+Na]+	301.107818	174.3
[M-H]-	277.111324	167.7
[M+NH4]+	296.152423	180.5
[M+K]+	317.081758	168.4
[M+H-H2O]+	261.115860	157.1
[M+HCOO]-	323.116801	179.7
[M+CH3COO]-	337.132451	198.9
[M+Na-2H]-	299.093266	164.3
[M]+	278.11805142	168.2
[M]-	278.11914858	168.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe