CID 50308

Brn 0855991

Structural Information

Molecular Formula
C25H30N2O4
SMILES
CC1=C(OC2=C(C1=O)C=CC(=C2)OC)CCCN3CCN(CC3)C4=CC=CC=C4OC
InChI
InChI=1S/C25H30N2O4/c1-18-22(31-24-17-19(29-2)10-11-20(24)25(18)28)9-6-12-26-13-15-27(16-14-26)21-7-4-5-8-23(21)30-3/h4-5,7-8,10-11,17H,6,9,12-16H2,1-3H3
InChIKey
XLYNVYYLQJMVFZ-UHFFFAOYSA-N
Compound name
7-methoxy-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.22055 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.22783 205.8
[M+Na]+ 445.20977 221.9
[M+NH4]+ 440.25437 212.5
[M+K]+ 461.18371 213.0
[M-H]- 421.21327 212.9
[M+Na-2H]- 443.19522 212.5
[M]+ 422.22000 210.3
[M]- 422.22110 210.3
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.