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]+ 272.09175 158.8
[M+Na]+ 294.07369 166.3
[M-H]- 270.07719 168.1
[M+NH4]+ 289.11829 174.8
[M+K]+ 310.04763 165.9
[M+H-H2O]+ 254.08173 152.0
[M+HCOO]- 316.08267 181.2
[M+CH3COO]- 330.09832 198.2
[M+Na-2H]- 292.05914 165.3
[M]+ 271.08392 162.1
[M]- 271.08502 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.