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 182.1
[M+Na]+ 366.14762 187.8
[M-H]- 342.15112 187.1
[M+NH4]+ 361.19222 195.0
[M+K]+ 382.12156 183.7
[M+H-H2O]+ 326.15566 172.4
[M+HCOO]- 388.15660 203.3
[M+CH3COO]- 402.17225 216.6
[M+Na-2H]- 364.13307 182.0
[M]+ 343.15785 184.1
[M]- 343.15895 184.1
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.