CID 3063790

101602-45-3

Structural Information

Molecular Formula
C17H22N2
SMILES
CC1=NC=CC(=C1)C(CCN(C)C)C2=CC=CC=C2
InChI
InChI=1S/C17H22N2/c1-14-13-16(9-11-18-14)17(10-12-19(2)3)15-7-5-4-6-8-15/h4-9,11,13,17H,10,12H2,1-3H3
InChIKey
NLCGTKYPPXDCRX-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(2-methylpyridin-4-yl)-3-phenylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1783 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.18558 162.1
[M+Na]+ 277.16752 167.3
[M-H]- 253.17102 168.2
[M+NH4]+ 272.21212 177.8
[M+K]+ 293.14146 164.3
[M+H-H2O]+ 237.17556 152.9
[M+HCOO]- 299.17650 184.6
[M+CH3COO]- 313.19215 203.9
[M+Na-2H]- 275.15297 166.4
[M]+ 254.17775 163.0
[M]- 254.17885 163.0
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.