CID 3024708

96863-68-2

Structural Information

Molecular Formula
C19H23NO2
SMILES
CC(C)(C(C1=CC=C(C=C1)N(C)C)O)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H23NO2/c1-19(2,17(21)14-8-6-5-7-9-14)18(22)15-10-12-16(13-11-15)20(3)4/h5-13,18,22H,1-4H3
InChIKey
PZOOGRNCWLTBLE-UHFFFAOYSA-N
Compound name
3-[4-(dimethylamino)phenyl]-3-hydroxy-2,2-dimethyl-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.17288 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.180156 171.3
[M+Na]+ 320.162098 175.5
[M-H]- 296.165604 177.6
[M+NH4]+ 315.206703 185.7
[M+K]+ 336.136038 173.1
[M+H-H2O]+ 280.170140 163.6
[M+HCOO]- 342.171081 191.0
[M+CH3COO]- 356.186731 209.3
[M+Na-2H]- 318.147546 173.6
[M]+ 297.17233142 171.6
[M]- 297.17342858 171.6
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.