CID 49966143

(2-phenylethyl)[2-(pyridin-4-yl)ethyl]amine

Structural Information

Molecular Formula
C15H18N2
SMILES
C1=CC=C(C=C1)CCNCCC2=CC=NC=C2
InChI
InChI=1S/C15H18N2/c1-2-4-14(5-3-1)6-10-16-11-7-15-8-12-17-13-9-15/h1-5,8-9,12-13,16H,6-7,10-11H2
InChIKey
RYDZIKYBEVGJEF-UHFFFAOYSA-N
Compound name
2-phenyl-N-(2-pyridin-4-ylethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.147 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.154276 152.0
[M+Na]+ 249.136218 157.3
[M-H]- 225.139724 156.5
[M+NH4]+ 244.180823 168.0
[M+K]+ 265.110158 152.8
[M+H-H2O]+ 209.144260 143.2
[M+HCOO]- 271.145201 175.8
[M+CH3COO]- 285.160851 192.6
[M+Na-2H]- 247.121666 160.2
[M]+ 226.14645142 151.2
[M]- 226.14754858 151.2
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.