CID 30260

Butyrophenone, 2'-hydroxy-4'-(2-morpholinoethoxy)-, hydrochloride

Structural Information

Molecular Formula
C16H23NO4
SMILES
CCCC(=O)C1=C(C=C(C=C1)OCCN2CCOCC2)O
InChI
InChI=1S/C16H23NO4/c1-2-3-15(18)14-5-4-13(12-16(14)19)21-11-8-17-6-9-20-10-7-17/h4-5,12,19H,2-3,6-11H2,1H3
InChIKey
QKKTXWDKHAFNPY-UHFFFAOYSA-N
Compound name
1-[2-hydroxy-4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.16272 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.169996 169.9
[M+Na]+ 316.151938 173.8
[M-H]- 292.155444 173.3
[M+NH4]+ 311.196543 181.5
[M+K]+ 332.125878 172.1
[M+H-H2O]+ 276.159980 161.2
[M+HCOO]- 338.160921 185.5
[M+CH3COO]- 352.176571 199.8
[M+Na-2H]- 314.137386 171.7
[M]+ 293.16217142 169.8
[M]- 293.16326858 169.8
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

No patent data available for this compound.