CID 18925

Su 14542

Structural Information

Molecular Formula

C₂₃H₃₀N₂O₃

SMILES

CC(=O)C1=CC(=C(C=C1)OCCCCN2CCN(CC2)C3=CC=CC=C3)OC

InChI

InChI=1S/C23H30N2O3/c1-19(26)20-10-11-22(23(18-20)27-2)28-17-7-6-12-24-13-15-25(16-14-24)21-8-4-3-5-9-21/h3-5,8-11,18H,6-7,12-17H2,1-2H3

InChIKey

INLZKCSBCSPVDZ-UHFFFAOYSA-N

Compound name

1-[3-methoxy-4-[4-(4-phenylpiperazin-1-yl)butoxy]phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 382.22565 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	383.232926	195.9
[M+Na]+	405.214868	198.9
[M-H]-	381.218374	201.0
[M+NH4]+	400.259473	203.8
[M+K]+	421.188808	194.2
[M+H-H2O]+	365.222910	183.8
[M+HCOO]-	427.223851	211.0
[M+CH3COO]-	441.239501	220.6
[M+Na-2H]-	403.200316	195.2
[M]+	382.22510142	195.8
[M]-	382.22619858	195.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe