CID 46221764

1204324-09-3

Structural Information

Molecular Formula
C33H33N2
SMILES
C1C[C@@H](N([C@H]1C2=CC=CC=C2)C=[N+]3[C@H](CC[C@@H]3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C33H33N2/c1-5-13-26(14-6-1)30-21-22-31(27-15-7-2-8-16-27)34(30)25-35-32(28-17-9-3-10-18-28)23-24-33(35)29-19-11-4-12-20-29/h1-20,25,30-33H,21-24H2/q+1/t30-,31-,32-,33-/m1/s1
InChIKey
RKWMIVFPGFFTSZ-XEXPGFJZSA-N
Compound name
(2R,5R)-1-[[(2R,5R)-2,5-diphenylpyrrolidin-1-ium-1-ylidene]methyl]-2,5-diphenylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

457.26437 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.27165 218.6
[M+Na]+ 480.25359 237.2
[M+NH4]+ 475.29819 228.8
[M+K]+ 496.22753 228.8
[M-H]- 456.25709 232.2
[M+Na-2H]- 478.23904 232.5
[M]+ 457.26382 225.7
[M]- 457.26492 225.7
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

patents stripe