CID 3051390

67465-09-2

Structural Information

Molecular Formula
C17H19NO2
SMILES
COC1=CC=C(C=C1)C2CC(CN2)(C3=CC=CC=C3)O
InChI
InChI=1S/C17H19NO2/c1-20-15-9-7-13(8-10-15)16-11-17(19,12-18-16)14-5-3-2-4-6-14/h2-10,16,18-19H,11-12H2,1H3
InChIKey
UYKQKWDIZLZCBX-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)-3-phenylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

269.14157 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.148846 163.0
[M+Na]+ 292.130788 169.5
[M-H]- 268.134294 168.8
[M+NH4]+ 287.175393 180.0
[M+K]+ 308.104728 164.2
[M+H-H2O]+ 252.138830 155.1
[M+HCOO]- 314.139771 181.9
[M+CH3COO]- 328.155421 173.9
[M+Na-2H]- 290.116236 166.0
[M]+ 269.14102142 159.3
[M]- 269.14211858 159.3
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

No patent data available for this compound.