CID 3056909

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

Structural Information

Molecular Formula
C24H29NO3
SMILES
CCCN1[C@H]2CCC1CCC2OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C24H29NO3/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/h3-12,20-22,27H,2,13-17H2,1H3/t20?,21-,22?/m0/s1
InChIKey
AIIWKVFWKMCXMV-ORFBVSJDSA-N
Compound name
[(1S)-8-propyl-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

379.21475 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.222026 194.1
[M+Na]+ 402.203968 196.4
[M-H]- 378.207474 199.0
[M+NH4]+ 397.248573 206.3
[M+K]+ 418.177908 191.3
[M+H-H2O]+ 362.212010 185.2
[M+HCOO]- 424.212951 206.2
[M+CH3COO]- 438.228601 216.2
[M+Na-2H]- 400.189416 194.5
[M]+ 379.21420142 191.4
[M]- 379.21529858 191.4
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.