CID 218024

40028-24-8

Structural Information

Molecular Formula
C20H26N2O
SMILES
COC1=CC=C(C=C1)C(CCC2=CC=CC=C2)N3CCNCC3
InChI
InChI=1S/C20H26N2O/c1-23-19-10-8-18(9-11-19)20(22-15-13-21-14-16-22)12-7-17-5-3-2-4-6-17/h2-6,8-11,20-21H,7,12-16H2,1H3
InChIKey
NTLFZKGHUHWYHB-UHFFFAOYSA-N
Compound name
1-[1-(4-methoxyphenyl)-3-phenylpropyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.2045 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.21178 177.0
[M+Na]+ 333.19372 179.2
[M-H]- 309.19722 180.6
[M+NH4]+ 328.23832 187.0
[M+K]+ 349.16766 173.4
[M+H-H2O]+ 293.20176 165.9
[M+HCOO]- 355.20270 191.2
[M+CH3COO]- 369.21835 184.7
[M+Na-2H]- 331.17917 179.0
[M]+ 310.20395 171.3
[M]- 310.20505 171.3
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

No patent data available for this compound.