CID 164106

119313-08-5

Structural Information

Molecular Formula
C21H28N2O
SMILES
CCC(CC1=CC=CC=C1)(C(=O)C2=CC=C(C=C2)N(C)C)N(C)C
InChI
InChI=1S/C21H28N2O/c1-6-21(23(4)5,16-17-10-8-7-9-11-17)20(24)18-12-14-19(15-13-18)22(2)3/h7-15H,6,16H2,1-5H3
InChIKey
UKUFGRPPIQNBNU-UHFFFAOYSA-N
Compound name
2-benzyl-2-(dimethylamino)-1-[4-(dimethylamino)phenyl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

359
Patents

324.22015 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.22743 181.9
[M+Na]+ 347.20937 193.5
[M+NH4]+ 342.25397 189.7
[M+K]+ 363.18331 186.6
[M-H]- 323.21287 187.4
[M+Na-2H]- 345.19482 190.5
[M]+ 324.21960 185.2
[M]- 324.22070 185.2
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

patents stripe