CID 13705300

Brn 5605462

Structural Information

Molecular Formula
C22H25NO2
SMILES
C1CN(CCC1C2=CC=CC=C2)C(=O)[C@@H]3C[C@H]3COC4=CC=CC=C4
InChI
InChI=1S/C22H25NO2/c24-22(21-15-19(21)16-25-20-9-5-2-6-10-20)23-13-11-18(12-14-23)17-7-3-1-4-8-17/h1-10,18-19,21H,11-16H2/t19-,21+/m0/s1
InChIKey
XXIVZGIMUOVPAB-PZJWPPBQSA-N
Compound name
[(1R,2R)-2-(phenoxymethyl)cyclopropyl]-(4-phenylpiperidin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.18854 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19582 180.0
[M+Na]+ 358.17776 184.9
[M-H]- 334.18126 190.0
[M+NH4]+ 353.22236 186.6
[M+K]+ 374.15170 180.0
[M+H-H2O]+ 318.18580 169.6
[M+HCOO]- 380.18674 197.8
[M+CH3COO]- 394.20239 188.7
[M+Na-2H]- 356.16321 181.0
[M]+ 335.18799 178.4
[M]- 335.18909 178.4
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.