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 161.5
[M+Na]+ 276.14712 167.3
[M-H]- 252.15062 166.0
[M+NH4]+ 271.19172 173.6
[M+K]+ 292.12106 161.9
[M+H-H2O]+ 236.15516 150.1
[M+HCOO]- 298.15610 178.0
[M+CH3COO]- 312.17175 171.4
[M+Na-2H]- 274.13257 166.4
[M]+ 253.15735 156.4
[M]- 253.15845 156.4
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