CID 9330

Benactyzine

Structural Information

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

2D Structure

compound 2d structure
7
Annotation Hits

694
References

3668
Patents

327.18344 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.19072 180.5
[M+Na]+ 350.17266 191.5
[M+NH4]+ 345.21726 187.1
[M+K]+ 366.14660 185.1
[M-H]- 326.17616 183.8
[M+Na-2H]- 348.15811 188.1
[M]+ 327.18289 182.9
[M]- 327.18399 182.9
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

patents stripe