CID 455999

Dl-leu(nh-ibu) oxalamide deriv.

Structural Information

Molecular Formula
C22H42N4O4
SMILES
CC(C)CC(C(=O)NCC(C)C)NC(=O)C(=O)NC(CC(C)C)C(=O)NCC(C)C
InChI
InChI=1S/C22H42N4O4/c1-13(2)9-17(19(27)23-11-15(5)6)25-21(29)22(30)26-18(10-14(3)4)20(28)24-12-16(7)8/h13-18H,9-12H2,1-8H3,(H,23,27)(H,24,28)(H,25,29)(H,26,30)
InChIKey
JXENXODZJCSRCU-UHFFFAOYSA-N
Compound name
N,N'-bis[4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.32062 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.32790 218.7
[M+Na]+ 449.30984 235.2
[M-H]- 425.31334 229.8
[M+NH4]+ 444.35444 230.1
[M+K]+ 465.28378 230.4
[M+H-H2O]+ 409.31788 221.2
[M+HCOO]- 471.31882 205.1
[M+CH3COO]- 485.33447 245.4
[M+Na-2H]- 447.29529 213.3
[M]+ 426.32007 210.5
[M]- 426.32117 210.5
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.