CID 43589

Antibiotic a 32390a

Structural Information

Molecular Formula
C18H24N2O8
SMILES
CC(=C(C(=O)OCC(C(C(C(COC(=O)C(=C(C)C)[N+]#[C-])O)O)O)O)[N+]#[C-])C
InChI
InChI=1S/C18H24N2O8/c1-9(2)13(19-5)17(25)27-7-11(21)15(23)16(24)12(22)8-28-18(26)14(20-6)10(3)4/h11-12,15-16,21-24H,7-8H2,1-4H3
InChIKey
YEMJVHOPMVQUGS-UHFFFAOYSA-N
Compound name
[2,3,4,5-tetrahydroxy-6-(2-isocyano-3-methylbut-2-enoyl)oxyhexyl] 2-isocyano-3-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

396.15326 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.16054 172.3
[M+Na]+ 419.14248 175.2
[M+NH4]+ 414.18708 177.0
[M+K]+ 435.11642 180.5
[M-H]- 395.14598 169.4
[M+Na-2H]- 417.12793 169.4
[M]+ 396.15271 173.0
[M]- 396.15381 173.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.