CID 373055

Nsc648887

Structural Information

Molecular Formula
C23H20O6
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OCCCOC3=CC4=C(C=C3)C(=CC(=O)O4)C
InChI
InChI=1S/C23H20O6/c1-14-10-22(24)28-20-12-16(4-6-18(14)20)26-8-3-9-27-17-5-7-19-15(2)11-23(25)29-21(19)13-17/h4-7,10-13H,3,8-9H2,1-2H3
InChIKey
HWDOSUKXDDAFDC-UHFFFAOYSA-N
Compound name
4-methyl-7-[3-(4-methyl-2-oxochromen-7-yl)oxypropoxy]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.12598 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.13326 192.6
[M+Na]+ 415.11520 204.2
[M-H]- 391.11870 203.6
[M+NH4]+ 410.15980 203.5
[M+K]+ 431.08914 202.4
[M+H-H2O]+ 375.12324 182.2
[M+HCOO]- 437.12418 213.7
[M+CH3COO]- 451.13983 223.3
[M+Na-2H]- 413.10065 199.5
[M]+ 392.12543 203.8
[M]- 392.12653 203.8
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.