CID 3052055

F 1694

Structural Information

Molecular Formula

C₁₇H₂₂N₂

SMILES

CN(C)C1=CC=C(C=C1)CNCCC2=CC=CC=C2

InChI

InChI=1S/C17H22N2/c1-19(2)17-10-8-16(9-11-17)14-18-13-12-15-6-4-3-5-7-15/h3-11,18H,12-14H2,1-2H3

InChIKey

CIVSXRZEUHXWGN-UHFFFAOYSA-N

Compound name

N,N-dimethyl-4-[(2-phenylethylamino)methyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 254.1783 Da
Monoisotopic Mass: 3.4
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]+	255.18558	161.3
[M+Na]+	277.16752	165.9
[M-H]-	253.17102	168.6
[M+NH4]+	272.21212	178.1
[M+K]+	293.14146	162.5
[M+H-H2O]+	237.17556	152.6
[M+HCOO]-	299.17650	187.2
[M+CH3COO]-	313.19215	205.4
[M+Na-2H]-	275.15297	167.0
[M]+	254.17775	161.6
[M]-	254.17885	161.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe