CID 209042

19099-29-7

Structural Information

Molecular Formula
C22H25N3
SMILES
CC(CC1=CC=CC=C1)NCCC(C2=CC=CC=N2)C3=CC=CC=N3
InChI
InChI=1S/C22H25N3/c1-18(17-19-9-3-2-4-10-19)23-16-13-20(21-11-5-7-14-24-21)22-12-6-8-15-25-22/h2-12,14-15,18,20,23H,13,16-17H2,1H3
InChIKey
WPEKNOGGLPWVBB-UHFFFAOYSA-N
Compound name
N-(1-phenylpropan-2-yl)-3,3-dipyridin-2-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.20483 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.21211 181.8
[M+Na]+ 354.19405 184.5
[M-H]- 330.19755 187.1
[M+NH4]+ 349.23865 191.1
[M+K]+ 370.16799 178.3
[M+H-H2O]+ 314.20209 169.9
[M+HCOO]- 376.20303 200.8
[M+CH3COO]- 390.21868 190.0
[M+Na-2H]- 352.17950 186.5
[M]+ 331.20428 179.7
[M]- 331.20538 179.7
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.