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-methyl-4-pyridinyl)-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]+ 255.185576 162.1
[M+Na]+ 277.167518 167.3
[M-H]- 253.171024 168.2
[M+NH4]+ 272.212123 177.8
[M+K]+ 293.141458 164.3
[M+H-H2O]+ 237.175560 152.9
[M+HCOO]- 299.176501 184.6
[M+CH3COO]- 313.192151 203.9
[M+Na-2H]- 275.152966 166.4
[M]+ 254.17775142 163.0
[M]- 254.17884858 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.