CID 727589

301306-96-7

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]+ 298.143776 171.2
[M+Na]+ 320.125718 178.5
[M-H]- 296.129224 180.2
[M+NH4]+ 315.170323 184.7
[M+K]+ 336.099658 177.1
[M+H-H2O]+ 280.133760 163.0
[M+HCOO]- 342.134701 190.0
[M+CH3COO]- 356.150351 208.1
[M+Na-2H]- 318.111166 176.0
[M]+ 297.13595142 172.6
[M]- 297.13704858 172.6
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.