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]+ 241.16992 157.5
[M+Na]+ 263.15186 163.0
[M-H]- 239.15536 162.3
[M+NH4]+ 258.19646 173.1
[M+K]+ 279.12580 158.8
[M+H-H2O]+ 223.15990 148.7
[M+HCOO]- 285.16084 179.9
[M+CH3COO]- 299.17649 197.5
[M+Na-2H]- 261.13731 163.1
[M]+ 240.16209 156.8
[M]- 240.16319 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.