CID 5072271

1-(5-bromo-2-hydroxyphenyl)-3-(diethylamino)prop-2-en-1-one

Structural Information

Molecular Formula
C13H16BrNO2
SMILES
CCN(CC)C=CC(=O)C1=C(C=CC(=C1)Br)O
InChI
InChI=1S/C13H16BrNO2/c1-3-15(4-2)8-7-13(17)11-9-10(14)5-6-12(11)16/h5-9,16H,3-4H2,1-2H3
InChIKey
WGCAWTUPPWTJJF-UHFFFAOYSA-N
Compound name
1-(5-bromo-2-hydroxyphenyl)-3-(diethylamino)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

297.03644 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.04372 160.4
[M+Na]+ 320.02566 169.9
[M-H]- 296.02916 166.3
[M+NH4]+ 315.07026 179.1
[M+K]+ 335.99960 158.4
[M+H-H2O]+ 280.03370 159.1
[M+HCOO]- 342.03464 180.7
[M+CH3COO]- 356.05029 203.0
[M+Na-2H]- 318.01111 163.7
[M]+ 297.03589 180.0
[M]- 297.03699 180.0
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