CID 54186

78329-95-0

Structural Information

Molecular Formula
C20H25NO3
SMILES
CCN(CC)C(COC(=O)C1=CC=CC=C1)C(C2=CC=CC=C2)O
InChI
InChI=1S/C20H25NO3/c1-3-21(4-2)18(19(22)16-11-7-5-8-12-16)15-24-20(23)17-13-9-6-10-14-17/h5-14,18-19,22H,3-4,15H2,1-2H3
InChIKey
TUUQNMFXJDKNHU-UHFFFAOYSA-N
Compound name
[2-(diethylamino)-3-hydroxy-3-phenylpropyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.18344 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.19072 180.4
[M+Na]+ 350.17266 191.0
[M+NH4]+ 345.21726 187.0
[M+K]+ 366.14660 185.0
[M-H]- 326.17616 183.9
[M+Na-2H]- 348.15811 187.3
[M]+ 327.18289 182.7
[M]- 327.18399 182.7
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.