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]+ 380.22203 194.1
[M+Na]+ 402.20397 196.4
[M-H]- 378.20747 199.0
[M+NH4]+ 397.24857 206.3
[M+K]+ 418.17791 191.3
[M+H-H2O]+ 362.21201 185.2
[M+HCOO]- 424.21295 206.2
[M+CH3COO]- 438.22860 216.2
[M+Na-2H]- 400.18942 194.5
[M]+ 379.21420 191.4
[M]- 379.21530 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.