CID 727589

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4,6-trimethylbenzamide

Structural Information

Molecular Formula
C18H19NO3
SMILES
CC1=CC(=C(C(=C1)C)C(=O)NC2=CC3=C(C=C2)OCCO3)C
InChI
InChI=1S/C18H19NO3/c1-11-8-12(2)17(13(3)9-11)18(20)19-14-4-5-15-16(10-14)22-7-6-21-15/h4-5,8-10H,6-7H2,1-3H3,(H,19,20)
InChIKey
KBVNKCYSZBFFAL-UHFFFAOYSA-N
Compound name
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4,6-trimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

297.1365 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.14378 169.9
[M+Na]+ 320.12572 184.5
[M+NH4]+ 315.17032 178.3
[M+K]+ 336.09966 177.6
[M-H]- 296.12922 178.0
[M+Na-2H]- 318.11117 176.2
[M]+ 297.13595 174.4
[M]- 297.13705 174.4
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.