CID 201708

Ksd 2652

Structural Information

Molecular Formula
C30H33NO3
SMILES
CC1=CC=CC=C1CN2C3CCCC2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O
InChI
InChI=1S/C30H33NO3/c1-22-11-8-9-12-23(22)21-31-26-17-10-18-27(31)20-28(19-26)34-29(32)30(33,24-13-4-2-5-14-24)25-15-6-3-7-16-25/h2-9,11-16,26-28,33H,10,17-21H2,1H3
InChIKey
ZXBJLDGKXWSTFQ-UHFFFAOYSA-N
Compound name
[9-[(2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl] 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.24603 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.25331 214.8
[M+Na]+ 478.23525 228.7
[M+NH4]+ 473.27985 222.6
[M+K]+ 494.20919 219.4
[M-H]- 454.23875 221.7
[M+Na-2H]- 476.22070 222.9
[M]+ 455.24548 218.9
[M]- 455.24658 218.9
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.