CID 958094

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

Structural Information

Molecular Formula
C15H13NO3
SMILES
CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C15H13NO3/c1-10-2-5-12(6-3-10)16-15(17)11-4-7-13-14(8-11)19-9-18-13/h2-8H,9H2,1H3,(H,16,17)
InChIKey
FHBGYUCZKLYTOX-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)-1,3-benzodioxole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

255.08954 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.09682 156.3
[M+Na]+ 278.07876 169.7
[M+NH4]+ 273.12336 164.9
[M+K]+ 294.05270 165.4
[M-H]- 254.08226 163.5
[M+Na-2H]- 276.06421 162.8
[M]+ 255.08899 160.3
[M]- 255.09009 160.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe