CID 156587258

Chebi:177302

Structural Information

Molecular Formula
C11H23N2O10PS2
SMILES
CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSS(=O)(=O)O)O
InChI
InChI=1S/C11H23N2O10PS2/c1-11(2,7-23-24(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-25-26(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
HNCTZPQIHHQPCO-VIFPVBQESA-N
Compound name
(2R)-2-hydroxy-3,3-dimethyl-1-oxo-1-[[3-oxo-3-(2-sulfosulfanylethylamino)propyl]amino]-4-phosphonooxybutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.05316 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.06044 187.5
[M+Na]+ 461.04238 187.9
[M-H]- 437.04588 189.6
[M+NH4]+ 456.08698 188.3
[M+K]+ 477.01632 182.7
[M+H-H2O]+ 421.05042 173.2
[M+HCOO]- 483.05136 192.1
[M+CH3COO]- 497.06701 217.6
[M+Na-2H]- 459.02783 174.8
[M]+ 438.05261 185.3
[M]- 438.05371 185.3
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.