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]+ 430.274056 210.6
[M+Na]+ 452.255998 210.6
[M-H]- 428.259504 219.3
[M+NH4]+ 447.300603 219.0
[M+K]+ 468.229938 206.9
[M+H-H2O]+ 412.264040 199.6
[M+HCOO]- 474.264981 228.4
[M+CH3COO]- 488.280631 235.9
[M+Na-2H]- 450.241446 210.0
[M]+ 429.26623142 212.1
[M]- 429.26732858 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.