CID 9923998

124935-88-2

Structural Information

Molecular Formula

C₂₃H₃₃NO

SMILES

CC1=CC(=C(C=C1)OC)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2

InChI

InChI=1S/C23H33NO/c1-17(2)24(18(3)4)15-14-21(20-10-8-7-9-11-20)22-16-19(5)12-13-23(22)25-6/h7-13,16-18,21H,14-15H2,1-6H3

InChIKey

CCXFTVHDCYNKJH-UHFFFAOYSA-N

Compound name

3-(2-methoxy-5-methylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 88
Patents: 339.25623 Da
Monoisotopic Mass: 6.0
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]+	340.263506	188.5
[M+Na]+	362.245448	191.4
[M-H]-	338.248954	195.4
[M+NH4]+	357.290053	202.2
[M+K]+	378.219388	188.9
[M+H-H2O]+	322.253490	179.5
[M+HCOO]-	384.254431	208.5
[M+CH3COO]-	398.270081	224.1
[M+Na-2H]-	360.230896	186.2
[M]+	339.25568142	191.6
[M]-	339.25677858	191.6

Literature stripe

literature stripe

Patent stripe

patents stripe