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]+ 355.201616 188.3
[M+Na]+ 377.183558 192.5
[M-H]- 353.187064 197.5
[M+NH4]+ 372.228163 202.8
[M+K]+ 393.157498 191.7
[M+H-H2O]+ 337.191600 180.0
[M+HCOO]- 399.192541 209.8
[M+CH3COO]- 413.208191 220.5
[M+Na-2H]- 375.169006 192.8
[M]+ 354.19379142 192.5
[M]- 354.19488858 192.5
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