CID 3051134

Beta-acetylsalicyloxy-beta-phenylethyl dimethylamine

Structural Information

Molecular Formula
C19H23NO3
SMILES
CC(=O)OC1=CC=CC=C1COC(CN(C)C)C2=CC=CC=C2
InChI
InChI=1S/C19H23NO3/c1-15(21)23-18-12-8-7-11-17(18)14-22-19(13-20(2)3)16-9-5-4-6-10-16/h4-12,19H,13-14H2,1-3H3
InChIKey
VTUARKKLJAXYCH-UHFFFAOYSA-N
Compound name
[2-[[2-(dimethylamino)-1-phenylethoxy]methyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1678 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.17508 175.4
[M+Na]+ 336.15702 187.6
[M+NH4]+ 331.20162 182.7
[M+K]+ 352.13096 180.9
[M-H]- 312.16052 179.8
[M+Na-2H]- 334.14247 183.4
[M]+ 313.16725 178.3
[M]- 313.16835 178.3
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.