CID 775353

N-(5-chloro-2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
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]+ 306.052746 167.5
[M+Na]+ 328.034688 176.7
[M-H]- 304.038194 176.9
[M+NH4]+ 323.079293 183.3
[M+K]+ 344.008628 174.6
[M+H-H2O]+ 288.042730 161.4
[M+HCOO]- 350.043671 185.2
[M+CH3COO]- 364.059321 203.1
[M+Na-2H]- 326.020136 172.6
[M]+ 305.04492142 173.5
[M]- 305.04601858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.