CID 3044134

Brn 2173332

Structural Information

Molecular Formula
C20H22FNO4
SMILES
COC1=C(C=C(C=C1)CCNC(=O)CCC(=O)C2=CC=C(C=C2)F)OC
InChI
InChI=1S/C20H22FNO4/c1-25-18-9-3-14(13-19(18)26-2)11-12-22-20(24)10-8-17(23)15-4-6-16(21)7-5-15/h3-7,9,13H,8,10-12H2,1-2H3,(H,22,24)
InChIKey
RMDZNRQNUQWVNJ-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1533 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.16058 185.0
[M+Na]+ 382.14252 190.5
[M-H]- 358.14602 189.9
[M+NH4]+ 377.18712 197.1
[M+K]+ 398.11646 187.1
[M+H-H2O]+ 342.15056 175.0
[M+HCOO]- 404.15150 206.4
[M+CH3COO]- 418.16715 218.8
[M+Na-2H]- 380.12797 185.0
[M]+ 359.15275 188.4
[M]- 359.15385 188.4
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.