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]+ 227.154276 152.6
[M+Na]+ 249.136218 159.9
[M-H]- 225.139724 157.9
[M+NH4]+ 244.180823 169.3
[M+K]+ 265.110158 155.4
[M+H-H2O]+ 209.144260 144.2
[M+HCOO]- 271.145201 176.4
[M+CH3COO]- 285.160851 194.8
[M+Na-2H]- 247.121666 159.2
[M]+ 226.14645142 152.6
[M]- 226.14754858 152.6
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.