CID 12077805

6-({bis[(pyridin-2-yl)methyl]amino}methyl)pyridin-2-amine

Structural Information

Molecular Formula
C18H19N5
SMILES
C1=CC=NC(=C1)CN(CC2=NC(=CC=C2)N)CC3=CC=CC=N3
InChI
InChI=1S/C18H19N5/c19-18-9-5-8-17(22-18)14-23(12-15-6-1-3-10-20-15)13-16-7-2-4-11-21-16/h1-11H,12-14H2,(H2,19,22)
InChIKey
QOCRBMGSQCAOTA-UHFFFAOYSA-N
Compound name
6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

305.16403 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.17131 172.0
[M+Na]+ 328.15325 177.5
[M-H]- 304.15675 177.9
[M+NH4]+ 323.19785 181.6
[M+K]+ 344.12719 171.8
[M+H-H2O]+ 288.16129 159.7
[M+HCOO]- 350.16223 194.1
[M+CH3COO]- 364.17788 181.6
[M+Na-2H]- 326.13870 179.6
[M]+ 305.16348 170.4
[M]- 305.16458 170.4
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

patents stripe