CID 48845

1,3-benzodioxole-2-acetamide, n-(2-diethylaminoethyl)-2-phenyl-, monohydrochloride

Structural Information

Molecular Formula
C21H26N2O3
SMILES
CCN(CC)CCNC(=O)CC1(OC2=CC=CC=C2O1)C3=CC=CC=C3
InChI
InChI=1S/C21H26N2O3/c1-3-23(4-2)15-14-22-20(24)16-21(17-10-6-5-7-11-17)25-18-12-8-9-13-19(18)26-21/h5-13H,3-4,14-16H2,1-2H3,(H,22,24)
InChIKey
YKRSWOAMGRDYNS-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-2-(2-phenyl-1,3-benzodioxol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

354.19434 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.20162 187.5
[M+Na]+ 377.18356 198.1
[M+NH4]+ 372.22816 196.1
[M+K]+ 393.15750 191.3
[M-H]- 353.18706 194.8
[M+Na-2H]- 375.16901 194.0
[M]+ 354.19379 191.1
[M]- 354.19489 191.1
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

patents stripe