CID 132412

Cizolirtine

Structural Information

Molecular Formula

C₁₅H₂₁N₃O

SMILES

CN1C(=CC=N1)C(C2=CC=CC=C2)OCCN(C)C

InChI

InChI=1S/C15H21N3O/c1-17(2)11-12-19-15(13-7-5-4-6-8-13)14-9-10-16-18(14)3/h4-10,15H,11-12H2,1-3H3

InChIKey

DCMJBKFKXGPPMT-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 23
References: 350
Patents: 259.16846 Da
Monoisotopic Mass: 1.7
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]+	260.17574	161.9
[M+Na]+	282.15768	167.7
[M-H]-	258.16118	167.0
[M+NH4]+	277.20228	177.9
[M+K]+	298.13162	165.9
[M+H-H2O]+	242.16572	152.3
[M+HCOO]-	304.16666	184.8
[M+CH3COO]-	318.18231	202.5
[M+Na-2H]-	280.14313	164.7
[M]+	259.16791	164.8
[M]-	259.16901	164.8

Literature stripe

literature stripe

Patent stripe

patents stripe