CID 61032596

Ethyl({1-[4-(3-methoxyphenyl)phenyl]ethyl})amine

Structural Information

Molecular Formula
C17H21NO
SMILES
CCNC(C)C1=CC=C(C=C1)C2=CC(=CC=C2)OC
InChI
InChI=1S/C17H21NO/c1-4-18-13(2)14-8-10-15(11-9-14)16-6-5-7-17(12-16)19-3/h5-13,18H,4H2,1-3H3
InChIKey
DHBPXIAWWNHYCA-UHFFFAOYSA-N
Compound name
N-ethyl-1-[4-(3-methoxyphenyl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.16231 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.169586 161.0
[M+Na]+ 278.151528 167.0
[M-H]- 254.155034 167.5
[M+NH4]+ 273.196133 177.7
[M+K]+ 294.125468 163.4
[M+H-H2O]+ 238.159570 153.1
[M+HCOO]- 300.160511 184.6
[M+CH3COO]- 314.176161 201.0
[M+Na-2H]- 276.136976 165.1
[M]+ 255.16176142 162.0
[M]- 255.16285858 162.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.