CID 3057612

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

Structural Information

Molecular Formula
C24H27NO3
SMILES
C=CCN1[C@H]2CCC1CCC2OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C24H27NO3/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/h2-12,20-22,27H,1,13-17H2/t20?,21-,22?/m0/s1
InChIKey
BPLDNTOIQDAYHZ-ORFBVSJDSA-N
Compound name
[(1S)-8-prop-2-enyl-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

377.1991 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.20638 192.6
[M+Na]+ 400.18832 203.5
[M+NH4]+ 395.23292 199.8
[M+K]+ 416.16226 198.0
[M-H]- 376.19182 195.8
[M+Na-2H]- 398.17377 197.4
[M]+ 377.19855 194.9
[M]- 377.19965 194.9
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.