CID 97960525

65581-52-4

Structural Information

Molecular Formula
C20H33N3O8
SMILES
CC(C)(C)OC(=O)NCCCC[C@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C20H33N3O8/c1-19(2,3)29-17(27)21-12-8-7-9-13(22-18(28)30-20(4,5)6)16(26)31-23-14(24)10-11-15(23)25/h13H,7-12H2,1-6H3,(H,21,27)(H,22,28)/t13-/m1/s1
InChIKey
IQVLXQGNLCPZCL-CYBMUJFWSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) (2R)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.22678 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.23406 201.4
[M+Na]+ 466.21600 202.3
[M-H]- 442.21950 202.5
[M+NH4]+ 461.26060 218.0
[M+K]+ 482.18994 204.0
[M+H-H2O]+ 426.22404 194.9
[M+HCOO]- 488.22498 218.9
[M+CH3COO]- 502.24063 232.5
[M+Na-2H]- 464.20145 199.5
[M]+ 443.22623 206.8
[M]- 443.22733 206.8
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.