CID 3070722

(1-((dimethylamino)methyl)-2-(2-(2-phenylethyl)phenoxy)ethoxy)acetic acid hydrochloride

Structural Information

Molecular Formula
C21H27NO4
SMILES
CN(C)CC(COC1=CC=CC=C1CCC2=CC=CC=C2)OCC(=O)O
InChI
InChI=1S/C21H27NO4/c1-22(2)14-19(25-16-21(23)24)15-26-20-11-7-6-10-18(20)13-12-17-8-4-3-5-9-17/h3-11,19H,12-16H2,1-2H3,(H,23,24)
InChIKey
XPFCBFOTOBVLQQ-UHFFFAOYSA-N
Compound name
2-[1-(dimethylamino)-3-[2-(2-phenylethyl)phenoxy]propan-2-yl]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

357.194 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.20128 187.6
[M+Na]+ 380.18322 198.2
[M+NH4]+ 375.22782 193.6
[M+K]+ 396.15716 191.9
[M-H]- 356.18672 190.9
[M+Na-2H]- 378.16867 194.0
[M]+ 357.19345 189.9
[M]- 357.19455 189.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.