CID 1617274

3241-01-8

Structural Information

Molecular Formula

C₁₆H₁₉NO

SMILES

COC1=CC=C(C=C1)CNCCC2=CC=CC=C2

InChI

InChI=1S/C16H19NO/c1-18-16-9-7-15(8-10-16)13-17-12-11-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3

InChIKey

ONSSOYCKZSYAQS-UHFFFAOYSA-N

Compound name

N-[(4-methoxyphenyl)methyl]-2-phenylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 241.14667 Da
Monoisotopic Mass: 3.2
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]+	242.153946	155.9
[M+Na]+	264.135888	161.7
[M-H]-	240.139394	162.1
[M+NH4]+	259.180493	172.9
[M+K]+	280.109828	157.7
[M+H-H2O]+	224.143930	147.8
[M+HCOO]-	286.144871	180.9
[M+CH3COO]-	300.160521	196.1
[M+Na-2H]-	262.121336	162.5
[M]+	241.14612142	156.7
[M]-	241.14721858	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe