CID 500310

1-(4-bromophenyl)-1-phenyl-4-pyrrolidin-1-yl-butan-1-ol; carbon monoxide; cobaltiocobalt

Structural Information

Molecular Formula
C20H22BrNO
SMILES
C1CCN(C1)C[CH][CH]C(C2=CC=CC=C2)(C3=CC=C(C=C3)Br)O
InChI
InChI=1S/C20H22BrNO/c21-19-11-9-18(10-12-19)20(23,17-7-2-1-3-8-17)13-6-16-22-14-4-5-15-22/h1-3,6-13,23H,4-5,14-16H2
InChIKey
OHCGJOBPAPHHGX-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.08847 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.09575 187.2
[M+Na]+ 394.07769 194.2
[M-H]- 370.08119 195.5
[M+NH4]+ 389.12229 202.4
[M+K]+ 410.05163 181.3
[M+H-H2O]+ 354.08573 185.4
[M+HCOO]- 416.08667 202.5
[M+CH3COO]- 430.10232 208.5
[M+Na-2H]- 392.06314 189.9
[M]+ 371.08792 202.5
[M]- 371.08902 202.5
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.