CID 3063358

Brn 5570427

Structural Information

Molecular Formula
C12H22N2O5S
SMILES
CC(=O)CC(C)(C)NC(=S)N[C@H]1[C@@H]([C@@H]([C@H](O1)CO)O)O
InChI
InChI=1S/C12H22N2O5S/c1-6(16)4-12(2,3)14-11(20)13-10-9(18)8(17)7(5-15)19-10/h7-10,15,17-18H,4-5H2,1-3H3,(H2,13,14,20)/t7-,8-,9-,10-/m1/s1
InChIKey
QFZOUJAPJJFFPY-ZYUZMQFOSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(2-methyl-4-oxopentan-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.12494 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.13222 172.4
[M+Na]+ 329.11416 174.9
[M+NH4]+ 324.15876 175.6
[M+K]+ 345.08810 174.9
[M-H]- 305.11766 170.4
[M+Na-2H]- 327.09961 169.3
[M]+ 306.12439 171.8
[M]- 306.12549 171.8
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.