CID 3073421

148711-81-3

Structural Information

Molecular Formula
C21H30N2O5
SMILES
CCOC1=C(C(=C2C(=C1)C=CC(=O)O2)OCCCN3CCN(CC3)C)OCC
InChI
InChI=1S/C21H30N2O5/c1-4-25-17-15-16-7-8-18(24)28-19(16)21(20(17)26-5-2)27-14-6-9-23-12-10-22(3)11-13-23/h7-8,15H,4-6,9-14H2,1-3H3
InChIKey
QIEXXYNXPSHPDL-UHFFFAOYSA-N
Compound name
6,7-diethoxy-8-[3-(4-methylpiperazin-1-yl)propoxy]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.21548 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.22276 195.9
[M+Na]+ 413.20470 201.9
[M-H]- 389.20820 200.4
[M+NH4]+ 408.24930 204.3
[M+K]+ 429.17864 199.5
[M+H-H2O]+ 373.21274 184.8
[M+HCOO]- 435.21368 210.5
[M+CH3COO]- 449.22933 222.8
[M+Na-2H]- 411.19015 197.4
[M]+ 390.21493 201.6
[M]- 390.21603 201.6
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.