CID 455991

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

Structural Information

Molecular Formula
C28H34Cl2N2O6
SMILES
CC(C)COC(=O)C(CC1=CC=C(C=C1)Cl)NC(=O)C(=O)NC(CC2=CC=C(C=C2)Cl)C(=O)OCC(C)C
InChI
InChI=1S/C28H34Cl2N2O6/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
NQFHVZBDWMMXSD-UHFFFAOYSA-N
Compound name
2-methylpropyl 3-(4-chlorophenyl)-2-[[2-[[3-(4-chlorophenyl)-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

564.1794 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.18668 229.8
[M+Na]+ 587.16862 230.4
[M-H]- 563.17212 234.7
[M+NH4]+ 582.21322 234.4
[M+K]+ 603.14256 227.4
[M+H-H2O]+ 547.17666 222.7
[M+HCOO]- 609.17760 237.1
[M+CH3COO]- 623.19325 255.4
[M+Na-2H]- 585.15407 221.4
[M]+ 564.17885 238.4
[M]- 564.17995 238.4
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.