CID 408135

70145-93-6

Structural Information

Molecular Formula
C16H19ClN2
SMILES
C1=CC=C(C=C1)CN(CCC2=CC=CC=N2)CCCl
InChI
InChI=1S/C16H19ClN2/c17-10-13-19(14-15-6-2-1-3-7-15)12-9-16-8-4-5-11-18-16/h1-8,11H,9-10,12-14H2
InChIKey
WFQXXQNZGMJUJK-UHFFFAOYSA-N
Compound name
N-benzyl-N-(2-chloroethyl)-2-pyridin-2-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.1237 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.130976 163.9
[M+Na]+ 297.112918 169.6
[M-H]- 273.116424 169.2
[M+NH4]+ 292.157523 179.3
[M+K]+ 313.086858 164.4
[M+H-H2O]+ 257.120960 154.9
[M+HCOO]- 319.121901 183.0
[M+CH3COO]- 333.137551 202.7
[M+Na-2H]- 295.098366 170.0
[M]+ 274.12315142 166.8
[M]- 274.12424858 166.8
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

No patent data available for this compound.