CID 71315335

2468200-18-0

Structural Information

Molecular Formula
C21H25NO3
SMILES
CCCNCC(COC1=CC=CC=C1C(=O)/C=C/C2=CC=CC=C2)O
InChI
InChI=1S/C21H25NO3/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/h3-13,18,22-23H,2,14-16H2,1H3/b13-12+
InChIKey
STGHQQSGJSJCGH-OUKQBFOZSA-N
Compound name
(E)-1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

339.18344 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.19072 185.0
[M+Na]+ 362.17266 196.0
[M+NH4]+ 357.21726 191.0
[M+K]+ 378.14660 188.4
[M-H]- 338.17616 188.2
[M+Na-2H]- 360.15811 191.3
[M]+ 339.18289 187.2
[M]- 339.18399 187.2
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