CID 356485

Nsc612423

Structural Information

Molecular Formula
C16H11NO6
SMILES
CN1C2=CC=CC=C2C(C1=O)(C3=C4C(=CC(=O)C3=O)OCO4)O
InChI
InChI=1S/C16H11NO6/c1-17-9-5-3-2-4-8(9)16(21,15(17)20)12-13(19)10(18)6-11-14(12)23-7-22-11/h2-6,21H,7H2,1H3
InChIKey
SKPLEUZCJFLHNG-UHFFFAOYSA-N
Compound name
4-(3-hydroxy-1-methyl-2-oxoindol-3-yl)-1,3-benzodioxole-5,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.05862 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.06590 164.6
[M+Na]+ 336.04784 176.1
[M-H]- 312.05134 173.3
[M+NH4]+ 331.09244 182.4
[M+K]+ 352.02178 174.3
[M+H-H2O]+ 296.05588 159.9
[M+HCOO]- 358.05682 181.9
[M+CH3COO]- 372.07247 177.7
[M+Na-2H]- 334.03329 167.7
[M]+ 313.05807 168.7
[M]- 313.05917 168.7
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.