CID 3061523

1-methyl-4-(3-phenyl-3-(2-(phenylmethoxy)phenoxy)propyl)piperazine dihydrochloride

Structural Information

Molecular Formula
C27H32N2O2
SMILES
CN1CCN(CC1)CCC(C2=CC=CC=C2)OC3=CC=CC=C3OCC4=CC=CC=C4
InChI
InChI=1S/C27H32N2O2/c1-28-18-20-29(21-19-28)17-16-25(24-12-6-3-7-13-24)31-27-15-9-8-14-26(27)30-22-23-10-4-2-5-11-23/h2-15,25H,16-22H2,1H3
InChIKey
VLFRFTIUJYIZDW-UHFFFAOYSA-N
Compound name
1-methyl-4-[3-phenyl-3-(2-phenylmethoxyphenoxy)propyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.24637 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.25365 205.3
[M+Na]+ 439.23559 206.5
[M-H]- 415.23909 212.5
[M+NH4]+ 434.28019 210.7
[M+K]+ 455.20953 200.1
[M+H-H2O]+ 399.24363 191.2
[M+HCOO]- 461.24457 219.6
[M+CH3COO]- 475.26022 211.3
[M+Na-2H]- 437.22104 205.4
[M]+ 416.24582 202.3
[M]- 416.24692 202.3
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

patents stripe