CID 455993

4pyrid-dl-ala(o-ibu) oxalamide deriv.

Structural Information

Molecular Formula
C26H34N4O6
SMILES
CC(C)COC(=O)C(CC1=CC=NC=C1)NC(=O)C(=O)NC(CC2=CC=NC=C2)C(=O)OCC(C)C
InChI
InChI=1S/C26H34N4O6/c1-17(2)15-35-25(33)21(13-19-5-9-27-10-6-19)29-23(31)24(32)30-22(26(34)36-16-18(3)4)14-20-7-11-28-12-8-20/h5-12,17-18,21-22H,13-16H2,1-4H3,(H,29,31)(H,30,32)
InChIKey
ZWDZXDNXOCAIDQ-UHFFFAOYSA-N
Compound name
2-methylpropyl 2-[[2-[[1-(2-methylpropoxy)-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-2-oxoacetyl]amino]-3-pyridin-4-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.24783 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.25511 220.2
[M+Na]+ 521.23705 218.0
[M-H]- 497.24055 222.3
[M+NH4]+ 516.28165 222.0
[M+K]+ 537.21099 217.8
[M+H-H2O]+ 481.24509 208.8
[M+HCOO]- 543.24603 234.1
[M+CH3COO]- 557.26168 245.9
[M+Na-2H]- 519.22250 215.3
[M]+ 498.24728 223.5
[M]- 498.24838 223.5
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.