CID 647869

N-(2-methoxy-5-methylphenyl)-1,3-benzodioxole-5-carboxamide

Structural Information

Molecular Formula
C16H15NO4
SMILES
CC1=CC(=C(C=C1)OC)NC(=O)C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C16H15NO4/c1-10-3-5-13(19-2)12(7-10)17-16(18)11-4-6-14-15(8-11)21-9-20-14/h3-8H,9H2,1-2H3,(H,17,18)
InChIKey
RYKUEZNGMWDACB-UHFFFAOYSA-N
Compound name
N-(2-methoxy-5-methylphenyl)-1,3-benzodioxole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

285.1001 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.10738 164.0
[M+Na]+ 308.08932 172.0
[M-H]- 284.09282 173.5
[M+NH4]+ 303.13392 179.7
[M+K]+ 324.06326 171.4
[M+H-H2O]+ 268.09736 157.2
[M+HCOO]- 330.09830 186.0
[M+CH3COO]- 344.11395 202.4
[M+Na-2H]- 306.07477 169.2
[M]+ 285.09955 168.0
[M]- 285.10065 168.0
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.