CID 3025096

Brn 0297376

Structural Information

Molecular Formula
C20H26N2O
SMILES
C1CN(CCN1)CCCC2=CC=C(C=C2)COC3=CC=CC=C3
InChI
InChI=1S/C20H26N2O/c1-2-6-20(7-3-1)23-17-19-10-8-18(9-11-19)5-4-14-22-15-12-21-13-16-22/h1-3,6-11,21H,4-5,12-17H2
InChIKey
PIERXXBCGRSNCW-UHFFFAOYSA-N
Compound name
1-[3-[4-(phenoxymethyl)phenyl]propyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

310.2045 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.21178 176.8
[M+Na]+ 333.19372 179.3
[M-H]- 309.19722 180.3
[M+NH4]+ 328.23832 186.8
[M+K]+ 349.16766 173.0
[M+H-H2O]+ 293.20176 165.5
[M+HCOO]- 355.20270 192.0
[M+CH3COO]- 369.21835 184.6
[M+Na-2H]- 331.17917 179.9
[M]+ 310.20395 171.6
[M]- 310.20505 171.6
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