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

0
Patents

269.14157 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14885 163.0
[M+Na]+ 292.13079 169.5
[M-H]- 268.13429 168.8
[M+NH4]+ 287.17539 180.0
[M+K]+ 308.10473 164.2
[M+H-H2O]+ 252.13883 155.1
[M+HCOO]- 314.13977 181.9
[M+CH3COO]- 328.15542 173.9
[M+Na-2H]- 290.11624 166.0
[M]+ 269.14102 159.3
[M]- 269.14212 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.