CID 13705327

Piperazine, 1-(2-chlorophenyl)-4-((2-(phenoxymethyl)cyclopropyl)carbonyl)-, monohydrochloride, trans-

Structural Information

Molecular Formula
C21H23ClN2O2
SMILES
C1CN(CCN1C2=CC=CC=C2Cl)C(=O)[C@@H]3C[C@H]3COC4=CC=CC=C4
InChI
InChI=1S/C21H23ClN2O2/c22-19-8-4-5-9-20(19)23-10-12-24(13-11-23)21(25)18-14-16(18)15-26-17-6-2-1-3-7-17/h1-9,16,18H,10-15H2/t16-,18+/m0/s1
InChIKey
VKVRTCQUPDQZMW-FUHWJXTLSA-N
Compound name
[4-(2-chlorophenyl)piperazin-1-yl]-[(1R,2R)-2-(phenoxymethyl)cyclopropyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.1448 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.15208 188.7
[M+Na]+ 393.13402 205.2
[M+NH4]+ 388.17862 197.3
[M+K]+ 409.10796 197.3
[M-H]- 369.13752 201.8
[M+Na-2H]- 391.11947 200.3
[M]+ 370.14425 196.2
[M]- 370.14535 196.2
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.