CID 4932

Propafenone

Structural Information

Molecular Formula
C21H27NO3
SMILES
CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O
InChI
InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
InChIKey
JWHAUXFOSRPERK-UHFFFAOYSA-N
Compound name
1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

1794
References

20422
Patents

341.1991 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.20638 184.9
[M+Na]+ 364.18832 187.4
[M-H]- 340.19182 188.8
[M+NH4]+ 359.23292 196.6
[M+K]+ 380.16226 183.2
[M+H-H2O]+ 324.19636 175.8
[M+HCOO]- 386.19730 205.2
[M+CH3COO]- 400.21295 213.5
[M+Na-2H]- 362.17377 186.0
[M]+ 341.19855 186.5
[M]- 341.19965 186.5
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

No patent data available for this compound.