CID 3056910

8-(2-propynyl)-(+)-2-alpha-nortropan-2-ol diphenylglycolate

Structural Information

Molecular Formula
C24H25NO3
SMILES
C#CCN1[C@@H]2CCC1CCC2OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C24H25NO3/c1-2-17-25-20-13-15-21(25)22(16-14-20)28-23(26)24(27,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h1,3-12,20-22,27H,13-17H2/t20?,21-,22?/m1/s1
InChIKey
WVIHALYTEFHXKY-ATKRNPRHSA-N
Compound name
[(1R)-8-prop-2-ynyl-8-azabicyclo[3.2.1]octan-2-yl] 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.18344 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.19072 194.9
[M+Na]+ 398.17266 205.7
[M+NH4]+ 393.21726 198.6
[M+K]+ 414.14660 196.8
[M-H]- 374.17616 189.8
[M+Na-2H]- 396.15811 196.2
[M]+ 375.18289 194.1
[M]- 375.18399 194.1
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.