CID 90471286

294188-27-5

Structural Information

Molecular Formula
C26H29NO2
SMILES
C[C@]1([C@H](CCN1CC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C26H29NO2/c1-26(29-21-24-15-9-4-10-16-24)25(28-20-23-13-7-3-8-14-23)17-18-27(26)19-22-11-5-2-6-12-22/h2-16,25H,17-21H2,1H3/t25-,26+/m0/s1
InChIKey
MQPBJPFBBXFAPH-IZZNHLLZSA-N
Compound name
(2R,3S)-1-benzyl-2-methyl-2,3-bis(phenylmethoxy)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.21982 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.22710 197.6
[M+Na]+ 410.20904 201.9
[M-H]- 386.21254 207.8
[M+NH4]+ 405.25364 210.2
[M+K]+ 426.18298 195.9
[M+H-H2O]+ 370.21708 185.8
[M+HCOO]- 432.21802 217.3
[M+CH3COO]- 446.23367 206.4
[M+Na-2H]- 408.19449 198.2
[M]+ 387.21927 197.3
[M]- 387.22037 197.3
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.