CID 3065817

2-phenoxypropionic acid alpha-((dimethylamino)methyl)benzyl ester hydrochloride

Structural Information

Molecular Formula
C19H23NO3
SMILES
CC(C(=O)OC(CN(C)C)C1=CC=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C19H23NO3/c1-15(22-17-12-8-5-9-13-17)19(21)23-18(14-20(2)3)16-10-6-4-7-11-16/h4-13,15,18H,14H2,1-3H3
InChIKey
ZOWVTTZWBUVXQA-UHFFFAOYSA-N
Compound name
[2-(dimethylamino)-1-phenylethyl] 2-phenoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1678 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.17508 176.6
[M+Na]+ 336.15702 179.5
[M-H]- 312.16052 183.6
[M+NH4]+ 331.20162 190.5
[M+K]+ 352.13096 178.5
[M+H-H2O]+ 296.16506 167.5
[M+HCOO]- 358.16600 198.6
[M+CH3COO]- 372.18165 212.4
[M+Na-2H]- 334.14247 177.9
[M]+ 313.16725 179.5
[M]- 313.16835 179.5
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.