CID 58224166

1019771-90-4

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 157.3
[M+Na]+ 292.05804 170.2
[M+NH4]+ 287.10264 165.3
[M+K]+ 308.03198 168.8
[M-H]- 268.06154 162.3
[M+Na-2H]- 290.04349 160.4
[M]+ 269.06827 160.4
[M]- 269.06937 160.4
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