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 198.3
[M+Na]+ 398.17266 204.8
[M-H]- 374.17616 200.4
[M+NH4]+ 393.21726 208.8
[M+K]+ 414.14660 194.4
[M+H-H2O]+ 358.18070 183.6
[M+HCOO]- 420.18164 205.4
[M+CH3COO]- 434.19729 203.9
[M+Na-2H]- 396.15811 197.0
[M]+ 375.18289 189.5
[M]- 375.18399 189.5
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.