CID 53422440

129140-12-1

Structural Information

Molecular Formula

C₁₈H₂₁N

SMILES

CCC(CC=CC1=CC=CC=C1)(C2=CC=CC=C2)N

InChI

InChI=1S/C18H21N/c1-2-18(19,17-13-7-4-8-14-17)15-9-12-16-10-5-3-6-11-16/h3-14H,2,15,19H2,1H3

InChIKey

UJYAPCYKCSLGDL-UHFFFAOYSA-N

Compound name

3,6-diphenylhex-5-en-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 251.1674 Da
Monoisotopic Mass: 4.1
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	161.6
[M+Na]+	274.156618	166.5
[M-H]-	250.160124	166.9
[M+NH4]+	269.201223	177.8
[M+K]+	290.130558	161.0
[M+H-H2O]+	234.164660	154.0
[M+HCOO]-	296.165601	183.7
[M+CH3COO]-	310.181251	197.2
[M+Na-2H]-	272.142066	167.5
[M]+	251.16685142	159.1
[M]-	251.16794858	159.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe