CID 165124

Difemerine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

327.18344 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.19072 179.5
[M+Na]+ 350.17266 190.1
[M+NH4]+ 345.21726 185.9
[M+K]+ 366.14660 185.1
[M-H]- 326.17616 182.2
[M+Na-2H]- 348.15811 187.1
[M]+ 327.18289 181.8
[M]- 327.18399 181.8
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