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]+ 304.07350 168.8
[M+Na]+ 326.05544 176.8
[M-H]- 302.05894 177.5
[M+NH4]+ 321.10004 182.7
[M+K]+ 342.02938 174.2
[M+H-H2O]+ 286.06348 161.5
[M+HCOO]- 348.06442 183.8
[M+CH3COO]- 362.08007 180.5
[M+Na-2H]- 324.04089 174.8
[M]+ 303.06567 171.5
[M]- 303.06677 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.