CID 3056908

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

Structural Information

Molecular Formula
C25H29NO3
SMILES
C1CC2CCC([C@H]1N2CC3CC3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O
InChI
InChI=1S/C25H29NO3/c27-24(25(28,19-7-3-1-4-8-19)20-9-5-2-6-10-20)29-23-16-14-21-13-15-22(23)26(21)17-18-11-12-18/h1-10,18,21-23,28H,11-17H2/t21?,22-,23?/m0/s1
InChIKey
PUULYMRVAOYZJE-KOENEWCDSA-N
Compound name
[(1S)-8-(cyclopropylmethyl)-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

391.21475 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.22203 190.8
[M+Na]+ 414.20397 194.6
[M-H]- 390.20747 198.8
[M+NH4]+ 409.24857 197.7
[M+K]+ 430.17791 188.9
[M+H-H2O]+ 374.21201 182.4
[M+HCOO]- 436.21295 203.2
[M+CH3COO]- 450.22860 198.0
[M+Na-2H]- 412.18942 191.4
[M]+ 391.21420 189.6
[M]- 391.21530 189.6
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.