CID 4128163

2-(benzylamino)-n-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

Structural Information

Molecular Formula
C17H18N2O3
SMILES
C1COC2=C(O1)C=CC(=C2)NC(=O)CNCC3=CC=CC=C3
InChI
InChI=1S/C17H18N2O3/c20-17(12-18-11-13-4-2-1-3-5-13)19-14-6-7-15-16(10-14)22-9-8-21-15/h1-7,10,18H,8-9,11-12H2,(H,19,20)
InChIKey
JHUGNHUKZQDDIL-UHFFFAOYSA-N
Compound name
2-(benzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.13174 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.139016 168.4
[M+Na]+ 321.120958 172.3
[M-H]- 297.124464 176.1
[M+NH4]+ 316.165563 180.4
[M+K]+ 337.094898 171.0
[M+H-H2O]+ 281.129000 159.3
[M+HCOO]- 343.129941 188.5
[M+CH3COO]- 357.145591 206.6
[M+Na-2H]- 319.106406 176.4
[M]+ 298.13119142 167.4
[M]- 298.13228858 167.4
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.