CID 49875

67465-38-7

Structural Information

Molecular Formula
C18H21NO3
SMILES
CN(C)CC(C1=CC=CC=C1)OC(=O)C(C2=CC=CC=C2)O
InChI
InChI=1S/C18H21NO3/c1-19(2)13-16(14-9-5-3-6-10-14)22-18(21)17(20)15-11-7-4-8-12-15/h3-12,16-17,20H,13H2,1-2H3
InChIKey
LNNYTUMZCUHLOO-UHFFFAOYSA-N
Compound name
[2-(dimethylamino)-1-phenylethyl] 2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.15213 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.159406 172.0
[M+Na]+ 322.141348 174.9
[M-H]- 298.144854 177.8
[M+NH4]+ 317.185953 185.8
[M+K]+ 338.115288 173.3
[M+H-H2O]+ 282.149390 163.4
[M+HCOO]- 344.150331 192.8
[M+CH3COO]- 358.165981 207.0
[M+Na-2H]- 320.126796 173.4
[M]+ 299.15158142 172.7
[M]- 299.15267858 172.7
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.