CID 674928

N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)acetamide

Structural Information

Molecular Formula
C17H17NO4
SMILES
CC1=C(C(=CC=C1)OCC(=O)NC2=CC3=C(C=C2)OCO3)C
InChI
InChI=1S/C17H17NO4/c1-11-4-3-5-14(12(11)2)20-9-17(19)18-13-6-7-15-16(8-13)22-10-21-15/h3-8H,9-10H2,1-2H3,(H,18,19)
InChIKey
GMHPWBXNSATUAQ-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

299.11575 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.12303 168.8
[M+Na]+ 322.10497 176.3
[M-H]- 298.10847 178.1
[M+NH4]+ 317.14957 183.9
[M+K]+ 338.07891 175.5
[M+H-H2O]+ 282.11301 161.8
[M+HCOO]- 344.11395 190.5
[M+CH3COO]- 358.12960 205.4
[M+Na-2H]- 320.09042 173.4
[M]+ 299.11520 173.2
[M]- 299.11630 173.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.