CID 2207412

356578-72-8

Structural Information

Molecular Formula
C17H11NO6
SMILES
C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O
InChI
InChI=1S/C17H11NO6/c19-15-11-3-2-10(17(21)22)6-12(11)16(20)18(15)7-9-1-4-13-14(5-9)24-8-23-13/h1-6H,7-8H2,(H,21,22)
InChIKey
COYDYKNLILNQLI-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-ylmethyl)-1,3-dioxoisoindole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

325.05862 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.06590 169.2
[M+Na]+ 348.04784 178.9
[M-H]- 324.05134 177.6
[M+NH4]+ 343.09244 184.1
[M+K]+ 364.02178 177.2
[M+H-H2O]+ 308.05588 163.7
[M+HCOO]- 370.05682 186.6
[M+CH3COO]- 384.07247 181.4
[M+Na-2H]- 346.03329 170.7
[M]+ 325.05807 173.5
[M]- 325.05917 173.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.