CID 163049

N-methyltropanyl benzilate

Structural Information

Molecular Formula
C22H25NO3
SMILES
CN1[C@H]2CC[C@@H]1[C@@H](CC2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C22H25NO3/c1-23-18-12-14-19(23)20(15-13-18)26-21(24)22(25,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20,25H,12-15H2,1H3/t18-,19+,20+/m0/s1
InChIKey
LSJGAYNIIMEDLR-XUVXKRRUSA-N
Compound name
[(1R,2R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

351.18344 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.19072 184.6
[M+Na]+ 374.17266 195.9
[M+NH4]+ 369.21726 192.5
[M+K]+ 390.14660 190.9
[M-H]- 350.17616 188.1
[M+Na-2H]- 372.15811 190.0
[M]+ 351.18289 187.1
[M]- 351.18399 187.1
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.