CID 13705321

102617-34-5

Structural Information

Molecular Formula
C21H24N2O2
SMILES
C1CN(CCN1C2=CC=CC=C2)C(=O)[C@@H]3C[C@H]3COC4=CC=CC=C4
InChI
InChI=1S/C21H24N2O2/c24-21(20-15-17(20)16-25-19-9-5-2-6-10-19)23-13-11-22(12-14-23)18-7-3-1-4-8-18/h1-10,17,20H,11-16H2/t17-,20+/m0/s1
InChIKey
KTFLNFAMHFYTOF-FXAWDEMLSA-N
Compound name
[(1R,2R)-2-(phenoxymethyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.18378 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.19106 184.9
[M+Na]+ 359.17300 200.3
[M+NH4]+ 354.21760 193.3
[M+K]+ 375.14694 193.0
[M-H]- 335.17650 198.0
[M+Na-2H]- 357.15845 196.6
[M]+ 336.18323 192.0
[M]- 336.18433 192.0
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.