CID 2788367

N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

Structural Information

Molecular Formula
C16H14ClNO3
SMILES
CC1=C(C=CC=C1Cl)NC(=O)C2COC3=CC=CC=C3O2
InChI
InChI=1S/C16H14ClNO3/c1-10-11(17)5-4-6-12(10)18-16(19)15-9-20-13-7-2-3-8-14(13)21-15/h2-8,15H,9H2,1H3,(H,18,19)
InChIKey
OKXLPJUSQTXVTJ-UHFFFAOYSA-N
Compound name
N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

303.06622 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.073496 168.8
[M+Na]+ 326.055438 176.8
[M-H]- 302.058944 177.5
[M+NH4]+ 321.100043 182.7
[M+K]+ 342.029378 174.2
[M+H-H2O]+ 286.063480 161.5
[M+HCOO]- 348.064421 183.8
[M+CH3COO]- 362.080071 180.5
[M+Na-2H]- 324.040886 174.8
[M]+ 303.06567142 171.5
[M]- 303.06676858 171.5
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.