CID 122535

29869-90-7

Structural Information

Molecular Formula

C₁₈H₂₁N

SMILES

CC(C=C(C1=CC=CC=C1)C2=CC=CC=C2)N(C)C

InChI

InChI=1S/C18H21N/c1-15(19(2)3)14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15H,1-3H3

InChIKey

QZWMYBWMOFESDA-UHFFFAOYSA-N

Compound name

N,N-dimethyl-4,4-diphenylbut-3-en-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 4
Patents: 251.1674 Da
Monoisotopic Mass: 4.7
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]+	252.174676	161.8
[M+Na]+	274.156618	165.8
[M-H]-	250.160124	169.0
[M+NH4]+	269.201223	178.6
[M+K]+	290.130558	162.6
[M+H-H2O]+	234.164660	153.6
[M+HCOO]-	296.165601	184.5
[M+CH3COO]-	310.181251	202.6
[M+Na-2H]-	272.142066	164.9
[M]+	251.16685142	160.8
[M]-	251.16794858	160.8

Literature stripe

literature stripe

Patent stripe

patents stripe