CID 198328

Antibiotic z-1159-1

Structural Information

Molecular Formula
C21H40N4O13
SMILES
C1C(C(C(C(C1NC(=O)C(CCN)O)O)OC2C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)N)N
InChI
InChI=1S/C21H40N4O13/c22-2-1-8(28)19(34)25-7-3-6(23)17(37-20-11(24)15(32)13(30)9(4-26)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,26-33H,1-5,22-24H2,(H,25,34)
InChIKey
NRBAPKVHONIXPV-UHFFFAOYSA-N
Compound name
4-amino-N-[5-amino-4-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

556.2592 Da
Monoisotopic Mass

-7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.26648 225.9
[M+Na]+ 579.24842 227.0
[M+NH4]+ 574.29302 226.8
[M+K]+ 595.22236 227.1
[M-H]- 555.25192 219.2
[M+Na-2H]- 577.23387 240.4
[M]+ 556.25865 224.8
[M]- 556.25975 224.8
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.