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]+ 284.12813 165.6
[M+Na]+ 306.11007 171.4
[M-H]- 282.11357 173.9
[M+NH4]+ 301.15467 179.0
[M+K]+ 322.08401 170.1
[M+H-H2O]+ 266.11811 157.2
[M+HCOO]- 328.11905 184.8
[M+CH3COO]- 342.13470 176.9
[M+Na-2H]- 304.09552 172.3
[M]+ 283.12030 165.7
[M]- 283.12140 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.