CID 198409

60534-70-5

Structural Information

Molecular Formula
C15H31N3O9
SMILES
CCC(=O)NC1C(OC(C(C1O)O)OC(C(CN)O)C(C(CO)O)N)CO
InChI
InChI=1S/C15H31N3O9/c1-2-9(23)18-11-8(5-20)26-15(13(25)12(11)24)27-14(6(21)3-16)10(17)7(22)4-19/h6-8,10-15,19-22,24-25H,2-5,16-17H2,1H3,(H,18,23)
InChIKey
JFNOZOIQSSNDRN-UHFFFAOYSA-N
Compound name
N-[6-(1,4-diamino-2,5,6-trihydroxyhexan-3-yl)oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

397.20602 Da
Monoisotopic Mass

-5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.21330 191.5
[M+Na]+ 420.19524 189.4
[M+NH4]+ 415.23984 190.0
[M+K]+ 436.16918 194.3
[M-H]- 396.19874 186.7
[M+Na-2H]- 418.18069 183.4
[M]+ 397.20547 188.3
[M]- 397.20657 188.3
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

patents stripe