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
7
Annotation Hits

1793
References

18762
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 185.8
[M+Na]+ 364.18832 196.7
[M+NH4]+ 359.23292 192.1
[M+K]+ 380.16226 189.3
[M-H]- 340.19182 189.2
[M+Na-2H]- 362.17377 192.3
[M]+ 341.19855 188.1
[M]- 341.19965 188.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe