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

18
Patents

255.08954 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.096816 156.2
[M+Na]+ 278.078758 163.8
[M-H]- 254.082264 165.4
[M+NH4]+ 273.123363 172.9
[M+K]+ 294.052698 162.8
[M+H-H2O]+ 238.086800 149.5
[M+HCOO]- 300.087741 178.4
[M+CH3COO]- 314.103391 169.3
[M+Na-2H]- 276.064206 162.5
[M]+ 255.08899142 158.0
[M]- 255.09008858 158.0
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