CID 169502265

Ddc-glucuronide

Structural Information

Molecular Formula
C11H19NO6S2
SMILES
CCN(CC)C(=S)SC1C(C(C(C(O1)C(=O)O)O)O)O
InChI
InChI=1S/C11H19NO6S2/c1-3-12(4-2)11(19)20-10-7(15)5(13)6(14)8(18-10)9(16)17/h5-8,10,13-15H,3-4H2,1-2H3,(H,16,17)
InChIKey
ZFSKUTUKGPTTGU-UHFFFAOYSA-N
Compound name
6-(diethylcarbamothioylsulfanyl)-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

325.06537 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.07265 168.9
[M+Na]+ 348.05459 171.5
[M-H]- 324.05809 167.4
[M+NH4]+ 343.09919 179.5
[M+K]+ 364.02853 168.8
[M+H-H2O]+ 308.06263 163.0
[M+HCOO]- 370.06357 171.3
[M+CH3COO]- 384.07922 202.4
[M+Na-2H]- 346.04004 164.3
[M]+ 325.06482 169.0
[M]- 325.06592 169.0
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.