CID 46844356

Chebi:224949

Structural Information

Molecular Formula
C18H30N4O8
SMILES
C/C(=C\C(=O)N(CCC[C@H]1C(=O)N([C@H](C(=O)N1)CCCN(C(=O)C)O)O)O)/CCO
InChI
InChI=1S/C18H30N4O8/c1-12(7-10-23)11-16(25)21(29)9-3-5-14-18(27)22(30)15(17(26)19-14)6-4-8-20(28)13(2)24/h11,14-15,23,28-30H,3-10H2,1-2H3,(H,19,26)/b12-11+/t14-,15-/m0/s1
InChIKey
MRHLRICNGQRBQN-NOQIOLJMSA-N
Compound name
(E)-N-[3-[(2S,5S)-5-[3-[acetyl(hydroxy)amino]propyl]-4-hydroxy-3,6-dioxopiperazin-2-yl]propyl]-N,5-dihydroxy-3-methylpent-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.20636 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.21364 197.8
[M+Na]+ 453.19558 198.4
[M+NH4]+ 448.24018 216.5
[M+K]+ 469.16952 200.5
[M-H]- 429.19908 191.2
[M+Na-2H]- 451.18103 191.9
[M]+ 430.20581 194.5
[M]- 430.20691 194.5
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.