CID 161313

Anabasamine

Structural Information

Molecular Formula
C16H19N3
SMILES
CN1CCCCC1C2=CN=C(C=C2)C3=CN=CC=C3
InChI
InChI=1S/C16H19N3/c1-19-10-3-2-6-16(19)14-7-8-15(18-12-14)13-5-4-9-17-11-13/h4-5,7-9,11-12,16H,2-3,6,10H2,1H3
InChIKey
TZRDBHMKTWECOV-UHFFFAOYSA-N
Compound name
5-(1-methylpiperidin-2-yl)-2-pyridin-3-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2
Patents

253.1579 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.16518 161.8
[M+Na]+ 276.14712 177.7
[M+NH4]+ 271.19172 170.6
[M+K]+ 292.12106 168.6
[M-H]- 252.15062 167.6
[M+Na-2H]- 274.13257 172.6
[M]+ 253.15735 165.9
[M]- 253.15845 165.9
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