CID 154699855

(s)-4'-hydroxypropafenone

Structural Information

Molecular Formula
C21H27NO4
SMILES
CCCNC[C@@H](COC1=CC=CC=C1C(=O)CCC2=CC=C(C=C2)O)O
InChI
InChI=1S/C21H27NO4/c1-2-13-22-14-18(24)15-26-21-6-4-3-5-19(21)20(25)12-9-16-7-10-17(23)11-8-16/h3-8,10-11,18,22-24H,2,9,12-15H2,1H3/t18-/m0/s1
InChIKey
OKWVLRWZWPULGI-SFHVURJKSA-N
Compound name
3-(4-hydroxyphenyl)-1-[2-[(2S)-2-hydroxy-3-(propylamino)propoxy]phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

357.194 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.20128 187.6
[M+Na]+ 380.18322 190.4
[M-H]- 356.18672 190.5
[M+NH4]+ 375.22782 198.1
[M+K]+ 396.15716 186.2
[M+H-H2O]+ 340.19126 178.7
[M+HCOO]- 402.19220 206.5
[M+CH3COO]- 416.20785 214.5
[M+Na-2H]- 378.16867 187.6
[M]+ 357.19345 189.1
[M]- 357.19455 189.1
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

No patent data available for this compound.