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

8
Patents

325.2042 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.211476 181.4
[M+Na]+ 348.193418 184.3
[M-H]- 324.196924 188.3
[M+NH4]+ 343.238023 195.1
[M+K]+ 364.167358 182.2
[M+H-H2O]+ 308.201460 172.7
[M+HCOO]- 370.202401 202.0
[M+CH3COO]- 384.218051 215.8
[M+Na-2H]- 346.178866 183.7
[M]+ 325.20365142 183.8
[M]- 325.20474858 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