CID 44593557

1171824-96-6

Structural Information

Molecular Formula

C₁₄H₁₅ClN₂O

SMILES

COCC1=C(C=CC2=C1CC[C@H]2C3=NC=CN3)Cl

InChI

InChI=1S/C14H15ClN2O/c1-18-8-12-10-2-3-11(14-16-6-7-17-14)9(10)4-5-13(12)15/h4-7,11H,2-3,8H2,1H3,(H,16,17)/t11-/m1/s1

InChIKey

CMNAOKMSNCWOHS-LLVKDONJSA-N

Compound name

2-[(1R)-5-chloro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 0
Patents: 262.08728 Da
Monoisotopic Mass: 2.5
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]+	263.094556	160.3
[M+Na]+	285.076498	170.2
[M-H]-	261.080004	164.3
[M+NH4]+	280.121103	179.4
[M+K]+	301.050438	164.0
[M+H-H2O]+	245.084540	153.1
[M+HCOO]-	307.085481	176.0
[M+CH3COO]-	321.101131	172.3
[M+Na-2H]-	283.061946	161.5
[M]+	262.08673142	162.1
[M]-	262.08782858	162.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.