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 222.4
[M+Na]+ 480.25359 224.3
[M-H]- 456.25709 236.7
[M+NH4]+ 475.29819 229.1
[M+K]+ 496.22753 209.2
[M+H-H2O]+ 440.26163 210.8
[M+HCOO]- 502.26257 237.4
[M+CH3COO]- 516.27822 228.0
[M+Na-2H]- 478.23904 217.2
[M]+ 457.26382 213.3
[M]- 457.26492 213.3
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

patents stripe