CID 2788350

N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

Structural Information

Molecular Formula
C16H15NO4
SMILES
COC1=CC=CC(=C1)NC(=O)C2COC3=CC=CC=C3O2
InChI
InChI=1S/C16H15NO4/c1-19-12-6-4-5-11(9-12)17-16(18)15-10-20-13-7-2-3-8-14(13)21-15/h2-9,15H,10H2,1H3,(H,17,18)
InChIKey
ZUKFSNIIUFBPOL-UHFFFAOYSA-N
Compound name
N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

285.1001 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.10738 163.6
[M+Na]+ 308.08932 169.7
[M-H]- 284.09282 172.2
[M+NH4]+ 303.13392 176.9
[M+K]+ 324.06326 169.3
[M+H-H2O]+ 268.09736 155.2
[M+HCOO]- 330.09830 183.3
[M+CH3COO]- 344.11395 201.8
[M+Na-2H]- 306.07477 171.1
[M]+ 285.09955 164.9
[M]- 285.10065 164.9
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.