CID 132847

148711-82-4

Structural Information

Molecular Formula

C₂₃H₂₆N₂O₄

SMILES

COC1=C(C2=C(C=C1)C=CC(=O)O2)OCCCN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N2O4/c1-27-20-10-8-18-9-11-21(26)29-22(18)23(20)28-17-5-12-24-13-15-25(16-14-24)19-6-3-2-4-7-19/h2-4,6-11H,5,12-17H2,1H3

InChIKey

BSRBRURAFYKAFS-UHFFFAOYSA-N

Compound name

7-methoxy-8-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 394.18927 Da
Monoisotopic Mass: 3.8
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]+	395.196546	196.5
[M+Na]+	417.178488	202.0
[M-H]-	393.181994	203.8
[M+NH4]+	412.223093	203.6
[M+K]+	433.152428	197.9
[M+H-H2O]+	377.186530	183.8
[M+HCOO]-	439.187471	211.3
[M+CH3COO]-	453.203121	204.6
[M+Na-2H]-	415.163936	199.5
[M]+	394.18872142	197.9
[M]-	394.18981858	197.9

Literature stripe

literature stripe

Patent stripe

patents stripe