CID 30297

Butyrophenone, 4'-(2-(diethylamino)ethoxy)-6'-hydroxy-, hydrochloride

Structural Information

Molecular Formula
C16H25NO3
SMILES
CCCC(=O)C1=C(C=C(C=C1)OCCN(CC)CC)O
InChI
InChI=1S/C16H25NO3/c1-4-7-15(18)14-9-8-13(12-16(14)19)20-11-10-17(5-2)6-3/h8-9,12,19H,4-7,10-11H2,1-3H3
InChIKey
WGXAVPJUSWJRHG-UHFFFAOYSA-N
Compound name
1-[4-[2-(diethylamino)ethoxy]-2-hydroxyphenyl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.18344 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.190716 168.4
[M+Na]+ 302.172658 173.4
[M-H]- 278.176164 171.5
[M+NH4]+ 297.217263 184.3
[M+K]+ 318.146598 171.8
[M+H-H2O]+ 262.180700 161.1
[M+HCOO]- 324.181641 190.5
[M+CH3COO]- 338.197291 206.5
[M+Na-2H]- 300.158106 169.3
[M]+ 279.18289142 173.2
[M]- 279.18398858 173.2
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

No patent data available for this compound.