CID 13705319

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

Structural Information

Molecular Formula
C22H26N2O3
SMILES
COC1=CC=CC=C1N2CCN(CC2)C(=O)[C@@H]3C[C@H]3COC4=CC=CC=C4
InChI
InChI=1S/C22H26N2O3/c1-26-21-10-6-5-9-20(21)23-11-13-24(14-12-23)22(25)19-15-17(19)16-27-18-7-3-2-4-8-18/h2-10,17,19H,11-16H2,1H3/t17-,19+/m0/s1
InChIKey
LVGSCDPHYANURR-PKOBYXMFSA-N
Compound name
[4-(2-methoxyphenyl)piperazin-1-yl]-[(1R,2R)-2-(phenoxymethyl)cyclopropyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.19434 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.20162 191.7
[M+Na]+ 389.18356 197.3
[M-H]- 365.18706 200.6
[M+NH4]+ 384.22816 195.9
[M+K]+ 405.15750 192.2
[M+H-H2O]+ 349.19160 180.3
[M+HCOO]- 411.19254 208.2
[M+CH3COO]- 425.20819 199.6
[M+Na-2H]- 387.16901 191.7
[M]+ 366.19379 192.2
[M]- 366.19489 192.2
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.