CID 117838

26672-24-2

Structural Information

Molecular Formula
C10H15NO8S2
SMILES
COC1=CC(=C(C=C1N)OC)S(=O)(=O)CCOS(=O)(=O)O
InChI
InChI=1S/C10H15NO8S2/c1-17-8-6-10(9(18-2)5-7(8)11)20(12,13)4-3-19-21(14,15)16/h5-6H,3-4,11H2,1-2H3,(H,14,15,16)
InChIKey
YTIYUMNTOZTPCC-UHFFFAOYSA-N
Compound name
2-(4-amino-2,5-dimethoxyphenyl)sulfonylethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

120
Patents

341.0239 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.03118 174.4
[M+Na]+ 364.01312 180.8
[M+NH4]+ 359.05772 177.5
[M+K]+ 379.98706 176.5
[M-H]- 340.01662 171.2
[M+Na-2H]- 361.99857 175.0
[M]+ 341.02335 174.9
[M]- 341.02445 174.9
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