CID 3049751

Brn 2749905

Structural Information

Molecular Formula
C18H18FNO2
SMILES
C/C(=C\NCC(C1=CC=CC=C1)O)/C(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C18H18FNO2/c1-13(18(22)15-7-9-16(19)10-8-15)11-20-12-17(21)14-5-3-2-4-6-14/h2-11,17,20-21H,12H2,1H3/b13-11+
InChIKey
UWCJPMHYSMNSNK-ACCUITESSA-N
Compound name
(E)-1-(4-fluorophenyl)-3-[(2-hydroxy-2-phenylethyl)amino]-2-methylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.13217 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13945 170.5
[M+Na]+ 322.12139 174.6
[M-H]- 298.12489 173.8
[M+NH4]+ 317.16599 183.8
[M+K]+ 338.09533 169.9
[M+H-H2O]+ 282.12943 161.6
[M+HCOO]- 344.13037 189.7
[M+CH3COO]- 358.14602 204.6
[M+Na-2H]- 320.10684 171.3
[M]+ 299.13162 167.1
[M]- 299.13272 167.1
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.