CID 3061833

1-(bromobenzyl)-2-(1-hydroxy-2-phenyl-1-benzylethyl)-1-methylpyrrolidinium iodide

Structural Information

Molecular Formula
C27H31BrNO
SMILES
C[N+]1(CCCC1C(CC2=CC=CC=C2)(CC3=CC=CC=C3)O)CC4=CC=CC=C4Br
InChI
InChI=1S/C27H31BrNO/c1-29(21-24-15-8-9-16-25(24)28)18-10-17-26(29)27(30,19-22-11-4-2-5-12-22)20-23-13-6-3-7-14-23/h2-9,11-16,26,30H,10,17-21H2,1H3/q+1
InChIKey
VGRRRULTDYNLJV-UHFFFAOYSA-N
Compound name
2-[1-[(2-bromophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]-1,3-diphenylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.1589 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.16618 212.4
[M+Na]+ 487.14812 218.5
[M+NH4]+ 482.19272 219.2
[M+K]+ 503.12206 214.9
[M-H]- 463.15162 219.1
[M+Na-2H]- 485.13357 220.3
[M]+ 464.15835 214.8
[M]- 464.15945 214.8
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.