CID 56843559

2-tropidinemethyl alpha-cyclopentyl-alpha-phenylglycolate

Structural Information

Molecular Formula
C22H29NO3
SMILES
CN1[C@@H]2CC[C@H]1C(=CC2)COC(=O)C(C3CCCC3)(C4=CC=CC=C4)O
InChI
InChI=1S/C22H29NO3/c1-23-19-12-11-16(20(23)14-13-19)15-26-21(24)22(25,18-9-5-6-10-18)17-7-3-2-4-8-17/h2-4,7-8,11,18-20,25H,5-6,9-10,12-15H2,1H3/t19-,20-,22?/m0/s1
InChIKey
OXRLUBCSJKPGQH-ZDOMSUIMSA-N
Compound name
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.21475 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.22203 186.4
[M+Na]+ 378.20397 194.7
[M+NH4]+ 373.24857 193.9
[M+K]+ 394.17791 192.5
[M-H]- 354.20747 188.8
[M+Na-2H]- 376.18942 189.2
[M]+ 355.21420 188.0
[M]- 355.21530 188.0
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.