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 167.5
[M+Na]+ 328.03469 176.7
[M-H]- 304.03819 176.9
[M+NH4]+ 323.07929 183.3
[M+K]+ 344.00863 174.6
[M+H-H2O]+ 288.04273 161.4
[M+HCOO]- 350.04367 185.2
[M+CH3COO]- 364.05932 203.1
[M+Na-2H]- 326.02014 172.6
[M]+ 305.04492 173.5
[M]- 305.04602 173.5
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.