CID 3048961

3-((3-((acetyloxy)methyl)-2,3-dihydro-1,4-benzodioxin-6-yl)amino)-1(3h)-isobenzofuranone

Structural Information

Molecular Formula
C19H17NO6
SMILES
CC(=O)OCC1COC2=C(O1)C=C(C=C2)NC3C4=CC=CC=C4C(=O)O3
InChI
InChI=1S/C19H17NO6/c1-11(21)23-9-13-10-24-16-7-6-12(8-17(16)25-13)20-18-14-4-2-3-5-15(14)19(22)26-18/h2-8,13,18,20H,9-10H2,1H3
InChIKey
HQAUCSQTLHTHBT-UHFFFAOYSA-N
Compound name
[6-[(3-oxo-1H-2-benzofuran-1-yl)amino]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1056 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.11288 180.3
[M+Na]+ 378.09482 192.5
[M+NH4]+ 373.13942 187.2
[M+K]+ 394.06876 189.4
[M-H]- 354.09832 187.9
[M+Na-2H]- 376.08027 182.9
[M]+ 355.10505 184.1
[M]- 355.10615 184.1
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

No patent data available for this compound.