CID 652596

64179-19-7

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]+ 270.076096 154.8
[M+Na]+ 292.058038 163.8
[M-H]- 268.061544 165.9
[M+NH4]+ 287.102643 172.4
[M+K]+ 308.031978 163.5
[M+H-H2O]+ 252.066080 150.1
[M+HCOO]- 314.067021 176.2
[M+CH3COO]- 328.082671 168.6
[M+Na-2H]- 290.043486 161.3
[M]+ 269.06827142 158.1
[M]- 269.06936858 158.1
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.