CID 455989

4f-dl-phe(o-ibu) oxalamide deriv.

Structural Information

Molecular Formula
C28H34F2N2O6
SMILES
CC(C)COC(=O)C(CC1=CC=C(C=C1)F)NC(=O)C(=O)NC(CC2=CC=C(C=C2)F)C(=O)OCC(C)C
InChI
InChI=1S/C28H34F2N2O6/c1-17(2)15-37-27(35)23(13-19-5-9-21(29)10-6-19)31-25(33)26(34)32-24(28(36)38-16-18(3)4)14-20-7-11-22(30)12-8-20/h5-12,17-18,23-24H,13-16H2,1-4H3,(H,31,33)(H,32,34)
InChIKey
GECYNXNAEUVMFT-UHFFFAOYSA-N
Compound name
2-methylpropyl 3-(4-fluorophenyl)-2-[[2-[[3-(4-fluorophenyl)-1-(2-methylpropoxy)-1-oxopropan-2-yl]amino]-2-oxoacetyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.23846 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.24574 229.9
[M+Na]+ 555.22768 228.9
[M-H]- 531.23118 231.9
[M+NH4]+ 550.27228 233.4
[M+K]+ 571.20162 228.0
[M+H-H2O]+ 515.23572 218.1
[M+HCOO]- 577.23666 243.4
[M+CH3COO]- 591.25231 254.2
[M+Na-2H]- 553.21313 220.2
[M]+ 532.23791 231.4
[M]- 532.23901 231.4
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.