CID 54520270

Schembl2371667

Structural Information

Molecular Formula

C₁₈H₂₁N

SMILES

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

InChI

InChI=1S/C18H21N/c1-4-17(19(2)3)18(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,4H2,1-3H3

InChIKey

YPHVPLRQJLMHLP-UHFFFAOYSA-N

Compound name

N,N-dimethyl-1,1-diphenylbut-1-en-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 251.1674 Da
Monoisotopic Mass: 5.2
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

No literature data available for this compound.

Patent stripe

patents stripe