CID 57852

100427-86-9

Structural Information

Molecular Formula
C19H24ClN
SMILES
CCN(CC)C(CCC1=CC=C(C=C1)Cl)C2=CC=CC=C2
InChI
InChI=1S/C19H24ClN/c1-3-21(4-2)19(17-8-6-5-7-9-17)15-12-16-10-13-18(20)14-11-16/h5-11,13-14,19H,3-4,12,15H2,1-2H3
InChIKey
GYYJLOMNSBFGLF-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-N,N-diethyl-1-phenylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.15973 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.16701 174.1
[M+Na]+ 324.14895 179.3
[M-H]- 300.15245 181.0
[M+NH4]+ 319.19355 190.2
[M+K]+ 340.12289 174.0
[M+H-H2O]+ 284.15699 166.2
[M+HCOO]- 346.15793 192.7
[M+CH3COO]- 360.17358 210.9
[M+Na-2H]- 322.13440 176.5
[M]+ 301.15918 177.5
[M]- 301.16028 177.5
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.