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]+ 275.13098 163.9
[M+Na]+ 297.11292 169.6
[M-H]- 273.11642 169.2
[M+NH4]+ 292.15752 179.3
[M+K]+ 313.08686 164.4
[M+H-H2O]+ 257.12096 154.9
[M+HCOO]- 319.12190 183.0
[M+CH3COO]- 333.13755 202.7
[M+Na-2H]- 295.09837 170.0
[M]+ 274.12315 166.8
[M]- 274.12425 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.