CID 3048676

63918-32-1

Structural Information

Molecular Formula
C19H24ClNO
SMILES
CCNCC(CCCl)OC1=CC=CC=C1CC2=CC=CC=C2
InChI
InChI=1S/C19H24ClNO/c1-2-21-15-18(12-13-20)22-19-11-7-6-10-17(19)14-16-8-4-3-5-9-16/h3-11,18,21H,2,12-15H2,1H3
InChIKey
MGRDDPKILWRBJG-UHFFFAOYSA-N
Compound name
2-(2-benzylphenoxy)-4-chloro-N-ethylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.15463 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.16191 177.0
[M+Na]+ 340.14385 182.0
[M-H]- 316.14735 182.4
[M+NH4]+ 335.18845 191.7
[M+K]+ 356.11779 175.9
[M+H-H2O]+ 300.15189 169.1
[M+HCOO]- 362.15283 195.4
[M+CH3COO]- 376.16848 209.5
[M+Na-2H]- 338.12930 180.2
[M]+ 317.15408 180.6
[M]- 317.15518 180.6
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.