CID 2788332

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

Structural Information

Molecular Formula
C19H21NO3
SMILES
CCCCC1=CC=C(C=C1)NC(=O)C2COC3=CC=CC=C3O2
InChI
InChI=1S/C19H21NO3/c1-2-3-6-14-9-11-15(12-10-14)20-19(21)18-13-22-16-7-4-5-8-17(16)23-18/h4-5,7-12,18H,2-3,6,13H2,1H3,(H,20,21)
InChIKey
HJIGMSSUEOOHJG-UHFFFAOYSA-N
Compound name
N-(4-butylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.15213 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.159406 175.0
[M+Na]+ 334.141348 179.9
[M-H]- 310.144854 182.9
[M+NH4]+ 329.185953 187.2
[M+K]+ 350.115288 178.2
[M+H-H2O]+ 294.149390 166.2
[M+HCOO]- 356.150331 193.5
[M+CH3COO]- 370.165981 208.5
[M+Na-2H]- 332.126796 180.6
[M]+ 311.15158142 175.8
[M]- 311.15267858 175.8
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.