CID 3048962

3-((2-((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=CC(=C2)NC3C4=CC=CC=C4C(=O)O3
InChI
InChI=1S/C19H17NO6/c1-11(21)23-9-13-10-24-17-8-12(6-7-16(17)25-13)20-18-14-4-2-3-5-15(14)19(22)26-18/h2-8,13,18,20H,9-10H2,1H3
InChIKey
LWFQCCPOZNAEBG-UHFFFAOYSA-N
Compound name
[6-[(3-oxo-1H-2-benzofuran-1-yl)amino]-2,3-dihydro-1,4-benzodioxin-2-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 179.7
[M+Na]+ 378.09482 186.4
[M-H]- 354.09832 190.0
[M+NH4]+ 373.13942 191.6
[M+K]+ 394.06876 186.8
[M+H-H2O]+ 338.10286 172.4
[M+HCOO]- 400.10380 196.8
[M+CH3COO]- 414.11945 190.7
[M+Na-2H]- 376.08027 184.2
[M]+ 355.10505 183.8
[M]- 355.10615 183.8
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.