CID 3074780

161692-82-6

Structural Information

Molecular Formula
C21H21F2NO4
SMILES
CCOC(=O)CNC(=O)C(C)CC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C21H21F2NO4/c1-3-28-20(26)12-24-21(27)13(2)10-19(25)15-6-4-14(5-7-15)17-9-8-16(22)11-18(17)23/h4-9,11,13H,3,10,12H2,1-2H3,(H,24,27)
InChIKey
AWVWOVBFZWLNJL-UHFFFAOYSA-N
Compound name
ethyl 2-[[4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.14386 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.15114 191.2
[M+Na]+ 412.13308 196.1
[M-H]- 388.13658 194.7
[M+NH4]+ 407.17768 201.8
[M+K]+ 428.10702 192.7
[M+H-H2O]+ 372.14112 180.6
[M+HCOO]- 434.14206 209.4
[M+CH3COO]- 448.15771 224.8
[M+Na-2H]- 410.11853 187.8
[M]+ 389.14331 191.9
[M]- 389.14441 191.9
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.