CID 3062761

98836-70-5

Structural Information

Molecular Formula

C₁₅H₂₀ClN₃O

SMILES

CC(CN1C=CN=C1)(COC2=CC=C(C=C2)Cl)N(C)C

InChI

InChI=1S/C15H20ClN3O/c1-15(18(2)3,10-19-9-8-17-12-19)11-20-14-6-4-13(16)5-7-14/h4-9,12H,10-11H2,1-3H3

InChIKey

MMIGREKBJDEJLR-UHFFFAOYSA-N

Compound name

1-(4-chlorophenoxy)-3-imidazol-1-yl-N,N,2-trimethylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 293.1295 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]+	294.136776	169.4
[M+Na]+	316.118718	176.7
[M-H]-	292.122224	174.5
[M+NH4]+	311.163323	185.0
[M+K]+	332.092658	172.9
[M+H-H2O]+	276.126760	160.5
[M+HCOO]-	338.127701	186.9
[M+CH3COO]-	352.143351	205.7
[M+Na-2H]-	314.104166	173.5
[M]+	293.12895142	174.4
[M]-	293.13004858	174.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.