CID 200082

Phenethylamine, n-(3-(p-chlorophenyl)propyl)-3,4-dimethoxy-n-ethyl-, oxalate

Structural Information

Molecular Formula
C21H28ClNO2
SMILES
CCN(CCCC1=CC=C(C=C1)Cl)CCC2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C21H28ClNO2/c1-4-23(14-5-6-17-7-10-19(22)11-8-17)15-13-18-9-12-20(24-2)21(16-18)25-3/h7-12,16H,4-6,13-15H2,1-3H3
InChIKey
PPTQLHHMSSVMME-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.18085 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.18813 189.3
[M+Na]+ 384.17007 195.5
[M-H]- 360.17357 196.5
[M+NH4]+ 379.21467 203.4
[M+K]+ 400.14401 190.7
[M+H-H2O]+ 344.17811 180.7
[M+HCOO]- 406.17905 208.6
[M+CH3COO]- 420.19470 222.2
[M+Na-2H]- 382.15552 190.4
[M]+ 361.18030 197.6
[M]- 361.18140 197.6
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.