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]+ 333.180876 179.3
[M+Na]+ 355.162818 186.1
[M-H]- 331.166324 184.1
[M+NH4]+ 350.207423 190.0
[M+K]+ 371.136758 183.5
[M+H-H2O]+ 315.170860 168.9
[M+HCOO]- 377.171801 194.9
[M+CH3COO]- 391.187451 210.5
[M+Na-2H]- 353.148266 183.0
[M]+ 332.17305142 182.2
[M]- 332.17414858 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.