CID 3048953

64179-26-6

Structural Information

Molecular Formula
C17H15NO6
SMILES
COC1=C(C2=C(C=C1)C(OC2=O)NC3=CC4=C(C=C3)OCO4)OC
InChI
InChI=1S/C17H15NO6/c1-20-12-6-4-10-14(15(12)21-2)17(19)24-16(10)18-9-3-5-11-13(7-9)23-8-22-11/h3-7,16,18H,8H2,1-2H3
InChIKey
PFXMQOCDRSZZLM-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-ylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.08994 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.097216 170.5
[M+Na]+ 352.079158 179.8
[M-H]- 328.082664 182.0
[M+NH4]+ 347.123763 186.0
[M+K]+ 368.053098 180.5
[M+H-H2O]+ 312.087200 165.6
[M+HCOO]- 374.088141 191.4
[M+CH3COO]- 388.103791 183.7
[M+Na-2H]- 350.064606 175.1
[M]+ 329.08939142 178.1
[M]- 329.09048858 178.1
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.