CID 218648

40986-96-7

Structural Information

Molecular Formula
C23H30N2O3
SMILES
COC1=CC=C(C=C1)OCCN2CCN(CC2)CCCC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H30N2O3/c1-27-21-9-11-22(12-10-21)28-19-18-25-16-14-24(15-17-25)13-5-8-23(26)20-6-3-2-4-7-20/h2-4,6-7,9-12H,5,8,13-19H2,1H3
InChIKey
LLYVIAUMZIKAED-UHFFFAOYSA-N
Compound name
4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-1-phenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.22565 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.23293 196.4
[M+Na]+ 405.21487 209.2
[M+NH4]+ 400.25947 202.7
[M+K]+ 421.18881 200.7
[M-H]- 381.21837 200.9
[M+Na-2H]- 403.20032 204.0
[M]+ 382.22510 199.4
[M]- 382.22620 199.4
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.