CID 114034

63681-06-1

Structural Information

Molecular Formula
C15H18N2
SMILES
CC1=CN=CC(=C1NCCC2=CC=CC=C2)C
InChI
InChI=1S/C15H18N2/c1-12-10-16-11-13(2)15(12)17-9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3,(H,16,17)
InChIKey
XTSBEKTYXSJYBV-UHFFFAOYSA-N
Compound name
3,5-dimethyl-N-(2-phenylethyl)pyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.147 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.15428 153.6
[M+Na]+ 249.13622 168.7
[M+NH4]+ 244.18082 162.9
[M+K]+ 265.11016 159.7
[M-H]- 225.13972 159.3
[M+Na-2H]- 247.12167 164.0
[M]+ 226.14645 157.5
[M]- 226.14755 157.5
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.