CID 65656

Parcetasal

Structural Information

Molecular Formula
C17H15NO5
SMILES
CC(=O)NC1=CC=C(C=C1)OC2(OC3=CC=CC=C3C(=O)O2)C
InChI
InChI=1S/C17H15NO5/c1-11(19)18-12-7-9-13(10-8-12)21-17(2)22-15-6-4-3-5-14(15)16(20)23-17/h3-10H,1-2H3,(H,18,19)
InChIKey
ZAPRLADYRFPQSH-UHFFFAOYSA-N
Compound name
N-[4-[(2-methyl-4-oxo-1,3-benzodioxin-2-yl)oxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

267
Patents

313.09503 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10231 169.8
[M+Na]+ 336.08425 183.3
[M+NH4]+ 331.12885 178.2
[M+K]+ 352.05819 175.8
[M-H]- 312.08775 176.4
[M+Na-2H]- 334.06970 177.1
[M]+ 313.09448 173.7
[M]- 313.09558 173.7
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

patents stripe