CID 48109

Beta-anisoyloxy-beta-phenylethyl dimethylamine

Structural Information

Molecular Formula
C18H21NO3
SMILES
CN(C)CC(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C18H21NO3/c1-19(2)13-17(14-7-5-4-6-8-14)22-18(20)15-9-11-16(21-3)12-10-15/h4-12,17H,13H2,1-3H3
InChIKey
KKIMWASHOPFXCF-UHFFFAOYSA-N
Compound name
[2-(dimethylamino)-1-phenylethyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.15213 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 171.5
[M+Na]+ 322.14135 176.1
[M-H]- 298.14485 179.1
[M+NH4]+ 317.18595 186.4
[M+K]+ 338.11529 174.8
[M+H-H2O]+ 282.14939 162.7
[M+HCOO]- 344.15033 194.9
[M+CH3COO]- 358.16598 209.8
[M+Na-2H]- 320.12680 173.9
[M]+ 299.15158 175.1
[M]- 299.15268 175.1
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.