CID 455997

L-leu(o-ibu) oxalamide deriv.

Structural Information

Molecular Formula
C22H40N2O6
SMILES
CC(C)C[C@@H](C(=O)OCC(C)C)NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)OCC(C)C
InChI
InChI=1S/C22H40N2O6/c1-13(2)9-17(21(27)29-11-15(5)6)23-19(25)20(26)24-18(10-14(3)4)22(28)30-12-16(7)8/h13-18H,9-12H2,1-8H3,(H,23,25)(H,24,26)/t17-,18-/m0/s1
InChIKey
BHAHSYPCMOJHOP-ROUUACIJSA-N
Compound name
2-methylpropyl (2S)-4-methyl-2-[[2-[[(2S)-4-methyl-1-(2-methylpropoxy)-1-oxopentan-2-yl]amino]-2-oxoacetyl]amino]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.28864 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.29592 214.4
[M+Na]+ 451.27786 228.1
[M-H]- 427.28136 222.6
[M+NH4]+ 446.32246 229.4
[M+K]+ 467.25180 225.0
[M+H-H2O]+ 411.28590 219.4
[M+HCOO]- 473.28684 204.8
[M+CH3COO]- 487.30249 238.9
[M+Na-2H]- 449.26331 209.1
[M]+ 428.28809 211.6
[M]- 428.28919 211.6
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.