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]+ 298.14378 170.8
[M+Na]+ 320.12572 177.2
[M-H]- 296.12922 179.4
[M+NH4]+ 315.17032 184.0
[M+K]+ 336.09966 175.7
[M+H-H2O]+ 280.13376 162.4
[M+HCOO]- 342.13470 189.6
[M+CH3COO]- 356.15035 206.8
[M+Na-2H]- 318.11117 176.3
[M]+ 297.13595 171.7
[M]- 297.13705 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.