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 188.2
[M+Na]+ 393.13402 194.8
[M-H]- 369.13752 196.8
[M+NH4]+ 388.17862 193.2
[M+K]+ 409.10796 188.2
[M+H-H2O]+ 353.14206 177.3
[M+HCOO]- 415.14300 200.5
[M+CH3COO]- 429.15865 196.2
[M+Na-2H]- 391.11947 188.3
[M]+ 370.14425 189.1
[M]- 370.14535 189.1
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.