CID 353506

Nsc601991

Structural Information

Molecular Formula
C30H26O11
SMILES
C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)OCCOCCOCCOCCOC4=C5C(=CC6=C4OC=C6)C=CC(=O)O5
InChI
InChI=1S/C30H26O11/c31-23-3-1-19-17-21-5-7-36-25(21)29(27(19)40-23)38-15-13-34-11-9-33-10-12-35-14-16-39-30-26-22(6-8-37-26)18-20-2-4-24(32)41-28(20)30/h1-8,17-18H,9-16H2
InChIKey
QWWPKZVULZYKIM-UHFFFAOYSA-N
Compound name
9-[2-[2-[2-[2-(7-oxofuro[3,2-g]chromen-9-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.1475 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.15478 225.3
[M+Na]+ 585.13672 235.4
[M-H]- 561.14022 239.7
[M+NH4]+ 580.18132 231.1
[M+K]+ 601.11066 238.4
[M+H-H2O]+ 545.14476 217.2
[M+HCOO]- 607.14570 245.3
[M+CH3COO]- 621.16135 235.6
[M+Na-2H]- 583.12217 231.0
[M]+ 562.14695 247.3
[M]- 562.14805 247.3
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.