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]+ 388.227096 197.6
[M+Na]+ 410.209038 201.9
[M-H]- 386.212544 207.8
[M+NH4]+ 405.253643 210.2
[M+K]+ 426.182978 195.9
[M+H-H2O]+ 370.217080 185.8
[M+HCOO]- 432.218021 217.3
[M+CH3COO]- 446.233671 206.4
[M+Na-2H]- 408.194486 198.2
[M]+ 387.21927142 197.3
[M]- 387.22036858 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.