CID 65701

Picoperine

Structural Information

Molecular Formula
C19H25N3
SMILES
C1CCN(CC1)CCN(CC2=CC=CC=N2)C3=CC=CC=C3
InChI
InChI=1S/C19H25N3/c1-3-10-19(11-4-1)22(17-18-9-5-6-12-20-18)16-15-21-13-7-2-8-14-21/h1,3-6,9-12H,2,7-8,13-17H2
InChIKey
MVMXJBMAGBRAHD-UHFFFAOYSA-N
Compound name
N-(2-piperidin-1-ylethyl)-N-(pyridin-2-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1961
Patents

295.20483 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.21211 174.2
[M+Na]+ 318.19405 187.8
[M+NH4]+ 313.23865 183.0
[M+K]+ 334.16799 178.3
[M-H]- 294.19755 181.2
[M+Na-2H]- 316.17950 185.0
[M]+ 295.20428 178.1
[M]- 295.20538 178.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe