CID 2788366

N-(4-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

Structural Information

Molecular Formula
C17H17NO3
SMILES
CCC1=CC=C(C=C1)NC(=O)C2COC3=CC=CC=C3O2
InChI
InChI=1S/C17H17NO3/c1-2-12-7-9-13(10-8-12)18-17(19)16-11-20-14-5-3-4-6-15(14)21-16/h3-10,16H,2,11H2,1H3,(H,18,19)
InChIKey
LWWVNSLAZAYGFO-UHFFFAOYSA-N
Compound name
N-(4-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.12085 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.128126 165.6
[M+Na]+ 306.110068 171.4
[M-H]- 282.113574 173.9
[M+NH4]+ 301.154673 179.0
[M+K]+ 322.084008 170.1
[M+H-H2O]+ 266.118110 157.2
[M+HCOO]- 328.119051 184.8
[M+CH3COO]- 342.134701 176.9
[M+Na-2H]- 304.095516 172.3
[M]+ 283.12030142 165.7
[M]- 283.12139858 165.7
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.