CID 356490

Nsc612428

Structural Information

Molecular Formula
C26H20N2O8
SMILES
CN1C2=CC=CC=C2C(C1=O)(C3=C4C(=C(C5=C3OCO5)C6(C7=CC=CC=C7N(C6=O)C)O)OCO4)O
InChI
InChI=1S/C26H20N2O8/c1-27-15-9-5-3-7-13(15)25(31,23(27)29)17-19-21(35-11-33-19)18(22-20(17)34-12-36-22)26(32)14-8-4-6-10-16(14)28(2)24(26)30/h3-10,31-32H,11-12H2,1-2H3
InChIKey
GPQGORGUIOJBFM-UHFFFAOYSA-N
Compound name
3-hydroxy-3-[8-(3-hydroxy-1-methyl-2-oxoindol-3-yl)-[1,3]dioxolo[4,5-f][1,3]benzodioxol-4-yl]-1-methylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.12198 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.12926 202.5
[M+Na]+ 511.11120 213.9
[M-H]- 487.11470 216.1
[M+NH4]+ 506.15580 215.5
[M+K]+ 527.08514 213.6
[M+H-H2O]+ 471.11924 200.7
[M+HCOO]- 533.12018 212.2
[M+CH3COO]- 547.13583 213.0
[M+Na-2H]- 509.09665 199.2
[M]+ 488.12143 210.7
[M]- 488.12253 210.7
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.