CID 9576643

Usaf b-63

Structural Information

Molecular Formula
C9H19N3O5S
SMILES
C(CS/C(=N/C1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)/N)N
InChI
InChI=1S/C9H19N3O5S/c10-1-2-18-9(11)12-8-7(16)6(15)5(14)4(3-13)17-8/h4-8,13-16H,1-3,10H2,(H2,11,12)/t4-,5-,6+,7-,8?/m0/s1
InChIKey
SBBIDCFWITVHHN-YTWDBIDXSA-N
Compound name
2-aminoethyl N'-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.10455 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11183 162.1
[M+Na]+ 304.09377 165.4
[M+NH4]+ 299.13837 165.8
[M+K]+ 320.06771 163.2
[M-H]- 280.09727 162.0
[M+Na-2H]- 302.07922 159.7
[M]+ 281.10400 162.0
[M]- 281.10510 162.0
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.