CID 172924

Antibiotic sf 1933

Structural Information

Molecular Formula
C7H14N2O6
SMILES
C([C@H]([C@H]([C@@H]([C@H](C=O)NC(=O)N)O)O)O)O
InChI
InChI=1S/C7H14N2O6/c8-7(15)9-3(1-10)5(13)6(14)4(12)2-11/h1,3-6,11-14H,2H2,(H3,8,9,15)/t3-,4+,5+,6+/m0/s1
InChIKey
VITVUDZBVHPRHH-SLPGGIOYSA-N
Compound name
[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

25
Patents

222.08519 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.092466 148.2
[M+Na]+ 245.074408 150.5
[M-H]- 221.077914 142.1
[M+NH4]+ 240.119013 161.8
[M+K]+ 261.048348 150.9
[M+H-H2O]+ 205.082450 142.3
[M+HCOO]- 267.083391 163.7
[M+CH3COO]- 281.099041 185.4
[M+Na-2H]- 243.059856 145.7
[M]+ 222.08464142 143.3
[M]- 222.08573858 143.3
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

patents stripe