CID 48109

66827-75-6

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]+ 300.159406 171.5
[M+Na]+ 322.141348 176.1
[M-H]- 298.144854 179.1
[M+NH4]+ 317.185953 186.4
[M+K]+ 338.115288 174.8
[M+H-H2O]+ 282.149390 162.7
[M+HCOO]- 344.150331 194.9
[M+CH3COO]- 358.165981 209.8
[M+Na-2H]- 320.126796 173.9
[M]+ 299.15158142 175.1
[M]- 299.15267858 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.