CID 170384

40488-01-5

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

14
References

0
Patents

325.2042 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21148 181.9
[M+Na]+ 348.19342 192.5
[M+NH4]+ 343.23802 188.7
[M+K]+ 364.16736 186.4
[M-H]- 324.19692 185.3
[M+Na-2H]- 346.17887 188.9
[M]+ 325.20365 184.3
[M]- 325.20475 184.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.