CID 116039

63980-34-7

Structural Information

Molecular Formula

C₁₆H₁₉N

SMILES

CC1=CC=C(C=C1)NCCCC2=CC=CC=C2

InChI

InChI=1S/C16H19N/c1-14-9-11-16(12-10-14)17-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12,17H,5,8,13H2,1H3

InChIKey

HGBZCNSJZRBAFV-UHFFFAOYSA-N

Compound name

4-methyl-N-(3-phenylpropyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 225.15175 Da
Monoisotopic Mass: 4.6
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]+	226.15903	152.4
[M+Na]+	248.14097	158.3
[M-H]-	224.14447	158.6
[M+NH4]+	243.18557	170.1
[M+K]+	264.11491	153.8
[M+H-H2O]+	208.14901	144.7
[M+HCOO]-	270.14995	177.2
[M+CH3COO]-	284.16560	194.1
[M+Na-2H]-	246.12642	159.1
[M]+	225.15120	151.8
[M]-	225.15230	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe