CID 969075

N-(3-chloro-4-methoxyphenyl)-1,3-benzodioxole-5-carboxamide

Structural Information

Molecular Formula
C15H12ClNO4
SMILES
COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3)Cl
InChI
InChI=1S/C15H12ClNO4/c1-19-12-5-3-10(7-11(12)16)17-15(18)9-2-4-13-14(6-9)21-8-20-13/h2-7H,8H2,1H3,(H,17,18)
InChIKey
HVKBDHDQWGYXTP-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

305.04547 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.05275 165.5
[M+Na]+ 328.03469 179.5
[M+NH4]+ 323.07929 173.8
[M+K]+ 344.00863 175.0
[M-H]- 304.03819 172.3
[M+Na-2H]- 326.02014 171.4
[M]+ 305.04492 169.8
[M]- 305.04602 169.8
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.