CID 120445

892-52-4

Structural Information

Molecular Formula

C₁₈H₂₃N

SMILES

CN(C)CCCC(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C18H23N/c1-19(2)15-9-14-18(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18H,9,14-15H2,1-2H3

InChIKey

BDSUMBDGCUOHGR-UHFFFAOYSA-N

Compound name

N,N-dimethyl-4,4-diphenylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 253.18304 Da
Monoisotopic Mass: 4.0
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]+	254.19032	162.8
[M+Na]+	276.17226	166.6
[M-H]-	252.17576	169.7
[M+NH4]+	271.21686	179.5
[M+K]+	292.14620	163.5
[M+H-H2O]+	236.18030	154.2
[M+HCOO]-	298.18124	186.3
[M+CH3COO]-	312.19689	203.3
[M+Na-2H]-	274.15771	167.0
[M]+	253.18249	163.1
[M]-	253.18359	163.1

Literature stripe

literature stripe

Patent stripe

patents stripe