CID 3055337

72279-25-5

Structural Information

Molecular Formula
C19H24ClNO
SMILES
CN(C)CCCOC1=CC=CC=C1CCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H24ClNO/c1-21(2)14-5-15-22-19-7-4-3-6-17(19)11-8-16-9-12-18(20)13-10-16/h3-4,6-7,9-10,12-13H,5,8,11,14-15H2,1-2H3
InChIKey
UGQYVJHUOPLZTH-UHFFFAOYSA-N
Compound name
3-[2-[2-(4-chlorophenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

317.15463 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.16191 177.2
[M+Na]+ 340.14385 183.5
[M-H]- 316.14735 184.3
[M+NH4]+ 335.18845 192.9
[M+K]+ 356.11779 178.4
[M+H-H2O]+ 300.15189 169.0
[M+HCOO]- 362.15283 196.9
[M+CH3COO]- 376.16848 213.2
[M+Na-2H]- 338.12930 180.0
[M]+ 317.15408 182.9
[M]- 317.15518 182.9
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