CID 2788333

N-(2-ethyl-6-methylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

Structural Information

Molecular Formula
C18H19NO3
SMILES
CCC1=CC=CC(=C1NC(=O)C2COC3=CC=CC=C3O2)C
InChI
InChI=1S/C18H19NO3/c1-3-13-8-6-7-12(2)17(13)19-18(20)16-11-21-14-9-4-5-10-15(14)22-16/h4-10,16H,3,11H2,1-2H3,(H,19,20)
InChIKey
PVNAGGKXCYFHLA-UHFFFAOYSA-N
Compound name
N-(2-ethyl-6-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

297.1365 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.143776 170.8
[M+Na]+ 320.125718 177.2
[M-H]- 296.129224 179.4
[M+NH4]+ 315.170323 184.0
[M+K]+ 336.099658 175.7
[M+H-H2O]+ 280.133760 162.4
[M+HCOO]- 342.134701 189.6
[M+CH3COO]- 356.150351 206.8
[M+Na-2H]- 318.111166 176.3
[M]+ 297.13595142 171.7
[M]- 297.13704858 171.7
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.