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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.19655 196.5
[M+Na]+ 417.17849 212.3
[M+NH4]+ 412.22309 203.5
[M+K]+ 433.15243 203.5
[M-H]- 393.18199 203.5
[M+Na-2H]- 415.16394 204.2
[M]+ 394.18872 200.9
[M]- 394.18982 200.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe