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 213.3
[M+Na]+ 478.23525 213.6
[M-H]- 454.23875 219.8
[M+NH4]+ 473.27985 219.3
[M+K]+ 494.20919 207.2
[M+H-H2O]+ 438.24329 200.8
[M+HCOO]- 500.24423 221.7
[M+CH3COO]- 514.25988 218.0
[M+Na-2H]- 476.22070 213.8
[M]+ 455.24548 207.4
[M]- 455.24658 207.4
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.