CID 50319

69159-49-5

Structural Information

Molecular Formula

C₁₇H₂₀N₂

SMILES

CNC1CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H20N2/c1-18-16-12-19(13-16)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-18H,12-13H2,1H3

InChIKey

FQFKVNTZBGKHLL-UHFFFAOYSA-N

Compound name

1-benzhydryl-N-methylazetidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 83
Patents: 252.16264 Da
Monoisotopic Mass: 2.9
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]+	253.169916	157.9
[M+Na]+	275.151858	161.6
[M-H]-	251.155364	165.0
[M+NH4]+	270.196463	166.3
[M+K]+	291.125798	160.5
[M+H-H2O]+	235.159900	143.1
[M+HCOO]-	297.160841	178.1
[M+CH3COO]-	311.176491	201.5
[M+Na-2H]-	273.137306	162.5
[M]+	252.16209142	163.2
[M]-	252.16318858	163.2

Literature stripe

literature stripe

Patent stripe

patents stripe