CID 3073426

148711-85-7

Structural Information

Molecular Formula
C18H24N2O4
SMILES
CN1CCN(CC1)CCCOC2=C(C=CC3=C2OC(=O)C=C3)OC
InChI
InChI=1S/C18H24N2O4/c1-19-9-11-20(12-10-19)8-3-13-23-18-15(22-2)6-4-14-5-7-16(21)24-17(14)18/h4-7H,3,8-13H2,1-2H3
InChIKey
QAXMITUWSOPVQA-UHFFFAOYSA-N
Compound name
7-methoxy-8-[3-(4-methylpiperazin-1-yl)propoxy]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1736 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.18088 179.3
[M+Na]+ 355.16282 186.1
[M-H]- 331.16632 184.1
[M+NH4]+ 350.20742 190.0
[M+K]+ 371.13676 183.5
[M+H-H2O]+ 315.17086 168.9
[M+HCOO]- 377.17180 194.9
[M+CH3COO]- 391.18745 210.5
[M+Na-2H]- 353.14827 183.0
[M]+ 332.17305 182.2
[M]- 332.17415 182.2
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.