CID 3034593

65201-23-2

Structural Information

Molecular Formula
C20H22FNO3
SMILES
C/C(=C\NCCC1=CC(=C(C=C1)OC)OC)/C(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C20H22FNO3/c1-14(20(23)16-5-7-17(21)8-6-16)13-22-11-10-15-4-9-18(24-2)19(12-15)25-3/h4-9,12-13,22H,10-11H2,1-3H3/b14-13+
InChIKey
GEHCVNRTMXFICS-BUHFOSPRSA-N
Compound name
(E)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-fluorophenyl)-2-methylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1584 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.16568 183.7
[M+Na]+ 366.14762 195.1
[M+NH4]+ 361.19222 189.4
[M+K]+ 382.12156 188.0
[M-H]- 342.15112 185.9
[M+Na-2H]- 364.13307 189.6
[M]+ 343.15785 185.7
[M]- 343.15895 185.7
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.