CID 9795469

Sulphostin

Structural Information

Molecular Formula
C5H13N4O5PS
SMILES
C1C[C@@H](C(=O)N(C1)[P@](=O)(N)NS(=O)(=O)O)N
InChI
InChI=1S/C5H13N4O5PS/c6-4-2-1-3-9(5(4)10)15(7,11)8-16(12,13)14/h4H,1-3,6H2,(H3,7,8,11)(H,12,13,14)/t4-,15-/m0/s1
InChIKey
AYVBXTCIPLYEBG-NMAPHRJESA-N
Compound name
[amino-[(3S)-3-amino-2-oxopiperidin-1-yl]phosphoryl]sulfamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

291
Patents

272.03442 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.04170 150.0
[M+Na]+ 295.02364 154.5
[M-H]- 271.02714 148.1
[M+NH4]+ 290.06824 163.0
[M+K]+ 310.99758 152.5
[M+H-H2O]+ 255.03168 141.3
[M+HCOO]- 317.03262 168.9
[M+CH3COO]- 331.04827 196.5
[M+Na-2H]- 293.00909 151.7
[M]+ 272.03387 145.3
[M]- 272.03497 145.3
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

patents stripe