CID 199978

Pyrazole, 5-(2-(dimethylamino)ethoxy)-3-methyl-1-phenyl-

Structural Information

Molecular Formula

C₁₄H₁₉N₃O

SMILES

CC1=NN(C(=C1)OCCN(C)C)C2=CC=CC=C2

InChI

InChI=1S/C14H19N3O/c1-12-11-14(18-10-9-16(2)3)17(15-12)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3

InChIKey

CXMVXXSAWYTORB-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-(5-methyl-2-phenylpyrazol-3-yl)oxyethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 245.15282 Da
Monoisotopic Mass: 2.6
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]+	246.160096	156.9
[M+Na]+	268.142038	164.5
[M-H]-	244.145544	162.5
[M+NH4]+	263.186643	173.9
[M+K]+	284.115978	162.3
[M+H-H2O]+	228.150080	147.7
[M+HCOO]-	290.151021	181.2
[M+CH3COO]-	304.166671	199.8
[M+Na-2H]-	266.127486	160.7
[M]+	245.15227142	160.5
[M]-	245.15336858	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe