CID 18804

3376-94-1

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

0
References

19
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 181.8
[M+Na]+ 348.19342 184.5
[M-H]- 324.19692 187.2
[M+NH4]+ 343.23802 194.9
[M+K]+ 364.16736 181.0
[M+H-H2O]+ 308.20146 173.2
[M+HCOO]- 370.20240 201.8
[M+CH3COO]- 384.21805 212.5
[M+Na-2H]- 346.17887 184.8
[M]+ 325.20365 182.9
[M]- 325.20475 182.9
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.