CID 54498257

Ns00116883

Structural Information

Molecular Formula
C13H24N4O4S
SMILES
CC(C)(C)NCC(COC1=NSN=C1N2CCOC(C2)O)O
InChI
InChI=1S/C13H24N4O4S/c1-13(2,3)14-6-9(18)8-21-12-11(15-22-16-12)17-4-5-20-10(19)7-17/h9-10,14,18-19H,4-8H2,1-3H3
InChIKey
YAQBXZZIPUGCRU-UHFFFAOYSA-N
Compound name
4-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,5-thiadiazol-3-yl]morpholin-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.15182 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.15910 176.5
[M+Na]+ 355.14104 182.6
[M+NH4]+ 350.18564 180.5
[M+K]+ 371.11498 181.0
[M-H]- 331.14454 176.5
[M+Na-2H]- 353.12649 177.3
[M]+ 332.15127 177.3
[M]- 332.15237 177.3
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

No patent data available for this compound.