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]+ 270.07610 154.8
[M+Na]+ 292.05804 163.8
[M-H]- 268.06154 165.9
[M+NH4]+ 287.10264 172.4
[M+K]+ 308.03198 163.5
[M+H-H2O]+ 252.06608 150.1
[M+HCOO]- 314.06702 176.2
[M+CH3COO]- 328.08267 168.6
[M+Na-2H]- 290.04349 161.3
[M]+ 269.06827 158.1
[M]- 269.06937 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.