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

312
Patents

324.22015 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.227426 181.3
[M+Na]+ 347.209368 184.7
[M-H]- 323.212874 189.9
[M+NH4]+ 342.253973 195.8
[M+K]+ 363.183308 183.0
[M+H-H2O]+ 307.217410 172.3
[M+HCOO]- 369.218351 204.2
[M+CH3COO]- 383.234001 223.2
[M+Na-2H]- 345.194816 183.8
[M]+ 324.21960142 184.0
[M]- 324.22069858 184.0
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