CID 58224166

Refchem:493910

Structural Information

Molecular Formula
C15H11NO4
SMILES
C1OC2=C(O1)C=C(C(=C2)C3C4=CC=CC=C4NC3=O)O
InChI
InChI=1S/C15H11NO4/c17-11-6-13-12(19-7-20-13)5-9(11)14-8-3-1-2-4-10(8)16-15(14)18/h1-6,14,17H,7H2,(H,16,18)
InChIKey
DYKNSPFBRMMODE-UHFFFAOYSA-N
Compound name
3-(6-hydroxy-1,3-benzodioxol-5-yl)-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

269.06882 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07610 156.0
[M+Na]+ 292.05804 165.7
[M-H]- 268.06154 162.9
[M+NH4]+ 287.10264 172.8
[M+K]+ 308.03198 162.8
[M+H-H2O]+ 252.06608 150.8
[M+HCOO]- 314.06702 173.1
[M+CH3COO]- 328.08267 168.6
[M+Na-2H]- 290.04349 159.6
[M]+ 269.06827 156.7
[M]- 269.06937 156.7
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

patents stripe