CID 49869549

1-(2-hydroxy-4-methoxyphenyl)-3-(pyridin-2-yl)propan-1-one

Structural Information

Molecular Formula
C15H15NO3
SMILES
COC1=CC(=C(C=C1)C(=O)CCC2=CC=CC=N2)O
InChI
InChI=1S/C15H15NO3/c1-19-12-6-7-13(15(18)10-12)14(17)8-5-11-4-2-3-9-16-11/h2-4,6-7,9-10,18H,5,8H2,1H3
InChIKey
IPMVYTFFNWLSAN-UHFFFAOYSA-N
Compound name
1-(2-hydroxy-4-methoxyphenyl)-3-pyridin-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

256
Patents

257.1052 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.11248 157.7
[M+Na]+ 280.09442 165.1
[M-H]- 256.09792 161.9
[M+NH4]+ 275.13902 172.4
[M+K]+ 296.06836 161.5
[M+H-H2O]+ 240.10246 149.5
[M+HCOO]- 302.10340 178.8
[M+CH3COO]- 316.11905 193.5
[M+Na-2H]- 278.07987 162.2
[M]+ 257.10465 159.5
[M]- 257.10575 159.5
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