CID 340698

2-(bis-(2-pyridylmethyl)-amino)-ethanol

Structural Information

Molecular Formula
C14H17N3O
SMILES
C1=CC=NC(=C1)CN(CCO)CC2=CC=CC=N2
InChI
InChI=1S/C14H17N3O/c18-10-9-17(11-13-5-1-3-7-15-13)12-14-6-2-4-8-16-14/h1-8,18H,9-12H2
InChIKey
DUFCPZLMEULRED-UHFFFAOYSA-N
Compound name
2-[bis(pyridin-2-ylmethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

34
Patents

243.13716 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.14444 155.7
[M+Na]+ 266.12638 161.0
[M-H]- 242.12988 158.9
[M+NH4]+ 261.17098 169.4
[M+K]+ 282.10032 157.5
[M+H-H2O]+ 226.13442 145.8
[M+HCOO]- 288.13536 177.6
[M+CH3COO]- 302.15101 195.1
[M+Na-2H]- 264.11183 163.2
[M]+ 243.13661 155.7
[M]- 243.13771 155.7
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