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]+ 286.107376 164.0
[M+Na]+ 308.089318 172.0
[M-H]- 284.092824 173.5
[M+NH4]+ 303.133923 179.7
[M+K]+ 324.063258 171.4
[M+H-H2O]+ 268.097360 157.2
[M+HCOO]- 330.098301 186.0
[M+CH3COO]- 344.113951 202.4
[M+Na-2H]- 306.074766 169.2
[M]+ 285.09955142 168.0
[M]- 285.10064858 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.