CID 396260

Nsc701813

Structural Information

Molecular Formula
C21H17NO8
SMILES
CCN1C(=O)C2=CC(=C(C=C2C(=O)C13C4=CC5=C(C=C4C(=O)O3)OCO5)OC)OC
InChI
InChI=1S/C21H17NO8/c1-4-22-19(24)11-6-15(27-3)14(26-2)5-10(11)18(23)21(22)13-8-17-16(28-9-29-17)7-12(13)20(25)30-21/h5-8H,4,9H2,1-3H3
InChIKey
AUGIDXDODPAEIQ-UHFFFAOYSA-N
Compound name
2'-ethyl-6',7'-dimethoxyspiro[furo[3,4-f][1,3]benzodioxole-7,3'-isoquinoline]-1',4',5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.09543 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.10271 189.6
[M+Na]+ 434.08465 201.3
[M-H]- 410.08815 200.0
[M+NH4]+ 429.12925 204.1
[M+K]+ 450.05859 201.2
[M+H-H2O]+ 394.09269 184.3
[M+HCOO]- 456.09363 203.6
[M+CH3COO]- 470.10928 201.4
[M+Na-2H]- 432.07010 191.9
[M]+ 411.09488 199.2
[M]- 411.09598 199.2
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.