CID 379259

Tris(2-pyridylmethyl)amine

Structural Information

Molecular Formula
C18H18N4
SMILES
C1=CC=NC(=C1)CN(CC2=CC=CC=N2)CC3=CC=CC=N3
InChI
InChI=1S/C18H18N4/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18/h1-12H,13-15H2
InChIKey
VGUWFGWZSVLROP-UHFFFAOYSA-N
Compound name
1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

173
References

2486
Patents

290.15314 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.16042 168.3
[M+Na]+ 313.14236 173.6
[M-H]- 289.14586 174.1
[M+NH4]+ 308.18696 178.6
[M+K]+ 329.11630 168.2
[M+H-H2O]+ 273.15040 155.8
[M+HCOO]- 335.15134 189.8
[M+CH3COO]- 349.16699 178.2
[M+Na-2H]- 311.12781 176.9
[M]+ 290.15259 167.7
[M]- 290.15369 167.7
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