CID 118072

53990-51-5

Structural Information

Molecular Formula
C21H27NO2
SMILES
CC(CN(C)C)C(CC1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)C
InChI
InChI=1S/C21H27NO2/c1-17(16-22(3)4)21(24-18(2)23,20-13-9-6-10-14-20)15-19-11-7-5-8-12-19/h5-14,17H,15-16H2,1-4H3
InChIKey
WPOZMXNNOJHTDY-UHFFFAOYSA-N
Compound name
[4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

325.2042 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21148 181.4
[M+Na]+ 348.19342 184.3
[M-H]- 324.19692 188.3
[M+NH4]+ 343.23802 195.1
[M+K]+ 364.16736 182.2
[M+H-H2O]+ 308.20146 172.7
[M+HCOO]- 370.20240 202.0
[M+CH3COO]- 384.21805 215.8
[M+Na-2H]- 346.17887 183.7
[M]+ 325.20365 183.8
[M]- 325.20475 183.8
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