CID 321423

N-(4-methoxyphenyl)-1,3-benzodioxole-5-carboxamide

Structural Information

Molecular Formula
C15H13NO4
SMILES
COC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C15H13NO4/c1-18-12-5-3-11(4-6-12)16-15(17)10-2-7-13-14(8-10)20-9-19-13/h2-8H,9H2,1H3,(H,16,17)
InChIKey
YWQSPLFCNNNROP-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

271.08447 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.091746 158.8
[M+Na]+ 294.073688 166.3
[M-H]- 270.077194 168.1
[M+NH4]+ 289.118293 174.8
[M+K]+ 310.047628 165.9
[M+H-H2O]+ 254.081730 152.0
[M+HCOO]- 316.082671 181.2
[M+CH3COO]- 330.098321 198.2
[M+Na-2H]- 292.059136 165.3
[M]+ 271.08392142 162.1
[M]- 271.08501858 162.1
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.