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]+ 423.227826 207.2
[M+Na]+ 445.209768 213.6
[M-H]- 421.213274 214.8
[M+NH4]+ 440.254373 213.7
[M+K]+ 461.183708 209.2
[M+H-H2O]+ 405.217810 194.4
[M+HCOO]- 467.218751 221.2
[M+CH3COO]- 481.234401 229.8
[M+Na-2H]- 443.195216 207.6
[M]+ 422.22000142 210.1
[M]- 422.22109858 210.1
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.