CID 13705283

102617-04-9

Structural Information

Molecular Formula
C22H26N2O2
SMILES
CC1=CC=CC=C1N2CCN(CC2)C(=O)[C@@H]3C[C@H]3COC4=CC=CC=C4
InChI
InChI=1S/C22H26N2O2/c1-17-7-5-6-10-21(17)23-11-13-24(14-12-23)22(25)20-15-18(20)16-26-19-8-3-2-4-9-19/h2-10,18,20H,11-16H2,1H3/t18-,20+/m0/s1
InChIKey
PMXTYGZLJXSQSH-AZUAARDMSA-N
Compound name
[4-(2-methylphenyl)piperazin-1-yl]-[(1R,2R)-2-(phenoxymethyl)cyclopropyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.19943 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.20671 188.3
[M+Na]+ 373.18865 203.9
[M+NH4]+ 368.23325 196.6
[M+K]+ 389.16259 196.7
[M-H]- 349.19215 201.5
[M+Na-2H]- 371.17410 199.6
[M]+ 350.19888 195.5
[M]- 350.19998 195.5
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.