CID 15954381

Chembl351035

Structural Information

Molecular Formula
C7H11N3O6S
SMILES
C1=CN(C(=O)NC1=O)COCCOS(=O)(=O)N
InChI
InChI=1S/C7H11N3O6S/c8-17(13,14)16-4-3-15-5-10-2-1-6(11)9-7(10)12/h1-2H,3-5H2,(H2,8,13,14)(H,9,11,12)
InChIKey
IWWTYNDIVQZSOD-UHFFFAOYSA-N
Compound name
2-[(2,4-dioxopyrimidin-1-yl)methoxy]ethyl sulfamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.03687 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.04415 151.6
[M+Na]+ 288.02609 160.7
[M-H]- 264.02959 151.3
[M+NH4]+ 283.07069 164.5
[M+K]+ 304.00003 157.5
[M+H-H2O]+ 248.03413 144.4
[M+HCOO]- 310.03507 168.1
[M+CH3COO]- 324.05072 188.8
[M+Na-2H]- 286.01154 156.4
[M]+ 265.03632 155.9
[M]- 265.03742 155.9
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.