CID 43491432

Ethyl[(4-ethylphenyl)(pyridin-3-yl)methyl]amine

Structural Information

Molecular Formula
C16H20N2
SMILES
CCC1=CC=C(C=C1)C(C2=CN=CC=C2)NCC
InChI
InChI=1S/C16H20N2/c1-3-13-7-9-14(10-8-13)16(18-4-2)15-6-5-11-17-12-15/h5-12,16,18H,3-4H2,1-2H3
InChIKey
ADOMPSJVIVDBKD-UHFFFAOYSA-N
Compound name
N-[(4-ethylphenyl)-pyridin-3-ylmethyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

240.16264 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.169916 157.5
[M+Na]+ 263.151858 163.0
[M-H]- 239.155364 162.3
[M+NH4]+ 258.196463 173.1
[M+K]+ 279.125798 158.8
[M+H-H2O]+ 223.159900 148.7
[M+HCOO]- 285.160841 179.9
[M+CH3COO]- 299.176491 197.5
[M+Na-2H]- 261.137306 163.1
[M]+ 240.16209142 156.8
[M]- 240.16318858 156.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.