CID 48622

66967-59-7

Structural Information

Molecular Formula
C29H35NO2
SMILES
CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)CC3=CC=CC=C3
InChI
InChI=1S/C29H35NO2/c1-5-27(32-28(31)21-24-15-9-6-10-16-24)29(22-23(2)30(3)4,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20,23,27H,5,21-22H2,1-4H3
InChIKey
IGVAHTVMFXVVRC-UHFFFAOYSA-N
Compound name
[6-(dimethylamino)-4,4-diphenylheptan-3-yl] 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.26678 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.27406 210.6
[M+Na]+ 452.25600 210.6
[M-H]- 428.25950 219.3
[M+NH4]+ 447.30060 219.0
[M+K]+ 468.22994 206.9
[M+H-H2O]+ 412.26404 199.6
[M+HCOO]- 474.26498 228.4
[M+CH3COO]- 488.28063 235.9
[M+Na-2H]- 450.24145 210.0
[M]+ 429.26623 212.1
[M]- 429.26733 212.1
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.