CID 652596

Mls000075938

Structural Information

Molecular Formula
C15H11NO4
SMILES
C1OC2=C(O1)C=C(C=C2)NC3C4=CC=CC=C4C(=O)O3
InChI
InChI=1S/C15H11NO4/c17-15-11-4-2-1-3-10(11)14(20-15)16-9-5-6-12-13(7-9)19-8-18-12/h1-7,14,16H,8H2
InChIKey
JVFWIZULPZDEPG-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-ylamino)-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

269.06882 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07610 156.5
[M+Na]+ 292.05804 169.4
[M+NH4]+ 287.10264 165.4
[M+K]+ 308.03198 167.6
[M-H]- 268.06154 164.8
[M+Na-2H]- 290.04349 160.7
[M]+ 269.06827 160.7
[M]- 269.06937 160.7
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.