CID 44149797

Aspartic acid, n,n'-1,6-hexanediylbis-, tetrabutyl ester

Structural Information

Molecular Formula
C30H56N2O8
SMILES
CCCCOC(=O)C[C@@H](C(=O)OCCCC)NCCCCCCN[C@@H](CC(=O)OCCCC)C(=O)OCCCC
InChI
InChI=1S/C30H56N2O8/c1-5-9-19-37-27(33)23-25(29(35)39-21-11-7-3)31-17-15-13-14-16-18-32-26(30(36)40-22-12-8-4)24-28(34)38-20-10-6-2/h25-26,31-32H,5-24H2,1-4H3/t25-,26-/m0/s1
InChIKey
OZOXAOCEHYZYHH-UIOOFZCWSA-N
Compound name
dibutyl (2S)-2-[6-[[(2S)-1,4-dibutoxy-1,4-dioxobutan-2-yl]amino]hexylamino]butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

572.4037 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.41098 255.8
[M+Na]+ 595.39292 261.2
[M+NH4]+ 590.43752 262.4
[M+K]+ 611.36686 259.8
[M-H]- 571.39642 254.0
[M+Na-2H]- 593.37837 259.3
[M]+ 572.40315 256.9
[M]- 572.40425 256.9
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.