CID 49869550

Rs9w0rr7an

Structural Information

Molecular Formula
C18H21NO3
SMILES
CC(C)COC1=CC(=C(C=C1)C(=O)CCC2=CC=CC=N2)O
InChI
InChI=1S/C18H21NO3/c1-13(2)12-22-15-7-8-16(18(21)11-15)17(20)9-6-14-5-3-4-10-19-14/h3-5,7-8,10-11,13,21H,6,9,12H2,1-2H3
InChIKey
ANKJXSOMEJINDX-UHFFFAOYSA-N
Compound name
1-[2-hydroxy-4-(2-methylpropoxy)phenyl]-3-pyridin-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

95
Patents

299.15213 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 171.8
[M+Na]+ 322.14135 184.8
[M+NH4]+ 317.18595 178.3
[M+K]+ 338.11529 178.2
[M-H]- 298.14485 174.3
[M+Na-2H]- 320.12680 178.8
[M]+ 299.15158 174.3
[M]- 299.15268 174.3
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