CID 121155

3-(p-chlorophenyl)-n-(3,4-dimethoxyphenethyl)propylamine hydrochloride

Structural Information

Molecular Formula
C19H24ClNO2
SMILES
COC1=C(C=C(C=C1)CCNCCCC2=CC=C(C=C2)Cl)OC
InChI
InChI=1S/C19H24ClNO2/c1-22-18-10-7-16(14-19(18)23-2)11-13-21-12-3-4-15-5-8-17(20)9-6-15/h5-10,14,21H,3-4,11-13H2,1-2H3
InChIKey
OAFSCJIQNLIJFA-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.14957 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15685 179.8
[M+Na]+ 356.13879 186.8
[M-H]- 332.14229 185.9
[M+NH4]+ 351.18339 194.5
[M+K]+ 372.11273 181.0
[M+H-H2O]+ 316.14683 171.9
[M+HCOO]- 378.14777 199.3
[M+CH3COO]- 392.16342 213.0
[M+Na-2H]- 354.12424 182.8
[M]+ 333.14902 186.2
[M]- 333.15012 186.2
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.