CID 156587255

Chebi:177300

Structural Information

Molecular Formula
C11H23N2O10PS
SMILES
CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS(=O)(=O)O)O
InChI
InChI=1S/C11H23N2O10PS/c1-11(2,7-23-24(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-25(20,21)22/h9,15H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)(H,20,21,22)/t9-/m0/s1
InChIKey
USVKSSSBJQTIBQ-VIFPVBQESA-N
Compound name
2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoylamino]ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.08112 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.08840 180.5
[M+Na]+ 429.07034 191.6
[M+NH4]+ 424.11494 188.3
[M+K]+ 445.04428 182.9
[M-H]- 405.07384 185.8
[M+Na-2H]- 427.05579 191.6
[M]+ 406.08057 183.7
[M]- 406.08167 183.7
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.