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]+ 312.15941 175.0
[M+Na]+ 334.14135 179.9
[M-H]- 310.14485 182.9
[M+NH4]+ 329.18595 187.2
[M+K]+ 350.11529 178.2
[M+H-H2O]+ 294.14939 166.2
[M+HCOO]- 356.15033 193.5
[M+CH3COO]- 370.16598 208.5
[M+Na-2H]- 332.12680 180.6
[M]+ 311.15158 175.8
[M]- 311.15268 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.