CID 3061831

Alpha,alpha-bis(phenylmethyl)-1-((bromophenyl)methyl)-2-pyrrolidinemethanol hydrochloride

Structural Information

Molecular Formula
C26H28BrNO
SMILES
C1CC(N(C1)CC2=CC=CC=C2Br)C(CC3=CC=CC=C3)(CC4=CC=CC=C4)O
InChI
InChI=1S/C26H28BrNO/c27-24-15-8-7-14-23(24)20-28-17-9-16-25(28)26(29,18-21-10-3-1-4-11-21)19-22-12-5-2-6-13-22/h1-8,10-15,25,29H,9,16-20H2
InChIKey
NBTVWBLECAMTCW-UHFFFAOYSA-N
Compound name
2-[1-[(2-bromophenyl)methyl]pyrrolidin-2-yl]-1,3-diphenylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.13544 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.14272 208.4
[M+Na]+ 472.12466 214.4
[M-H]- 448.12816 219.2
[M+NH4]+ 467.16926 220.1
[M+K]+ 488.09860 200.7
[M+H-H2O]+ 432.13270 205.4
[M+HCOO]- 494.13364 222.7
[M+CH3COO]- 508.14929 217.5
[M+Na-2H]- 470.11011 209.2
[M]+ 449.13489 223.1
[M]- 449.13599 223.1
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.