CID 216845

Brn 1091946

Structural Information

Molecular Formula
C11H25N2O8PS2
SMILES
CS(=O)(=O)OCCCN(CCCOS(=O)(=O)C)P1(=O)NCCCO1
InChI
InChI=1S/C11H25N2O8PS2/c1-23(15,16)20-10-4-7-13(8-5-11-21-24(2,17)18)22(14)12-6-3-9-19-22/h3-11H2,1-2H3,(H,12,14)
InChIKey
LDJYQUUXVWTUMZ-UHFFFAOYSA-N
Compound name
3-[3-methylsulfonyloxypropyl-(2-oxo-1,3,2lambda5-oxazaphosphinan-2-yl)amino]propyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

408.079 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.08628 179.8
[M+Na]+ 431.06822 181.6
[M-H]- 407.07172 178.9
[M+NH4]+ 426.11282 189.3
[M+K]+ 447.04216 181.5
[M+H-H2O]+ 391.07626 171.1
[M+HCOO]- 453.07720 192.0
[M+CH3COO]- 467.09285 215.1
[M+Na-2H]- 429.05367 184.1
[M]+ 408.07845 186.2
[M]- 408.07955 186.2
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