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 193.2
[M+Na]+ 400.18832 195.8
[M-H]- 376.19182 198.1
[M+NH4]+ 395.23292 205.4
[M+K]+ 416.16226 190.1
[M+H-H2O]+ 360.19636 184.4
[M+HCOO]- 422.19730 205.5
[M+CH3COO]- 436.21295 215.5
[M+Na-2H]- 398.17377 193.6
[M]+ 377.19855 189.9
[M]- 377.19965 189.9
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.